SMIRKS
[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:74])[N:28]([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([N:29]([C:30](=[O:31])[C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:84])([H:85])[H:86])([C:40]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:93])([H:94])[H:95])([C:48]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:54]([C:55]([H:111])([H:112])[H:113])([C:56]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:121])[H:122])[H:123])([H:124])[H:125])[H:126])([C:57](=[O:58])[O:59][H:127])[H:128])([H:129])[H:130])[H:131])([H:132])([H:133])[H:134]>>[H]O[C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:74])[N:28]([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([N:29]([H])[H:119])[H:120].[H]O[C:30](=[O:31])[C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:84])([H:85])[H:86])([C:40]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:93])([H:94])[H:95])([C:48]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:54]([C:55]([H:111])([H:112])[H:113])([C:56]([H:114])([H:115])[H:116])[H:117])[H:118].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:132])([H:133])[H:134])([C:3]([H:62])([H:63])[H:64])[H:131])([H:129])[H:130])([C:57](=[O:58])[O:59][H:127])[H:128])[H:126])=[O:8])([H:124])[H:125])[H:123])=[O:12])([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])[H:122])[H:121]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E873 - Reaction Operator E
[#7:15](-[#6@:9])(-[#6:16](=[#8:17])-[#6@@:18]-[#7:19](-[#6:20](=[#8:21])-[#6@:22])-[H:117])-[H:124]>>[#6:16](=[#8:17])(-[#6@@:18]-[#7:19](-[H:117])-[H])-[#8]-[H].[#6:20](=[#8:21])(-[#6@:22])-[#8]-[H].[#7:15](-[#6@:9])(-[H:124])-[H]
EVODEX.1-C910 - Reaction Operator C
([#7:18]-[#6:19].[#7:29]-[#6:30].[#6@:5])>>([H]-[#8]-[#6:19].[#7:29]-[H]).[H]-[#8]-[#6:30].([H]-[#7:18].[#6@@:5])
EVODEX.1-N1257 - Reaction Operator N
([#6:4]-[#6@:5](-[#7:6])(-[#6:57])-[H:128].[#7:18](-[#6@:13])(-[#6:19](=[#8:20])-[#6@:21]-[#7:29](-[#6:30](=[#8:31])-[#6@@:32])-[H:119])-[H:121])>>[H]-[#8]-[#6:19](=[#8:20])-[#6@:21]-[#7:29](-[H])-[H:119].[H]-[#8]-[#6:30](=[#8:31])-[#6@@:32].([H]-[#7:18](-[#6@:13])-[H:121].[#7:6]-[#6@@:5](-[#6:4])(-[#6:57])-[H:128])
EVODEX.1-Em640 - Reaction Operator Em
[#6:13]-[#7:18]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[#6:30](=[#8:31])-[#6:32]>>[H]-[#8]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[H].[H]-[#8]-[#6:30](=[#8:31])-[#6:32].[H]-[#7:18]-[#6:13]
EVODEX.1-Cm154 - Reaction Operator Cm
([#7:6]-[#6:7].[#6:62]-[#7:64])>>[#8]-[#6:7].([#8]-[#6:62].[#7:6]-[H]).[H]-[#7:64]
EVODEX.1-Nm575 - Reaction Operator Nm
[#6:13]-[#7:18]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[#6:30](=[#8:31])-[#6:32]>>[H]-[#8]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[H].[H]-[#8]-[#6:30](=[#8:31])-[#6:32].[H]-[#7:18]-[#6:13]
Source Full Reactions
EVODEX.1-R5918
[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:74])[N:28]([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([N:29]([C:30](=[O:31])[C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:84])([H:85])[H:86])([C:40]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:93])([H:94])[H:95])([C:48]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:54]([C:55]([H:111])([H:112])[H:113])([C:56]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:121])[H:122])[H:123])([H:124])[H:125])[H:126])([C:57](=[O:58])[O:59][H:127])[H:128])([H:129])[H:130])[H:131])([H:132])([H:133])[H:134].[H][O:60][H:135].[H][O:61][H:137]>>[H][N:29]([C@:21]([C:19](=[O:20])[O:60][H:135])([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:74])[N:28]([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:120])[H:119].[C:30](=[O:31])([C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:84])([H:85])[H:86])([C:40]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:93])([H:94])[H:95])([C:48]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:54]([C:55]([H:111])([H:112])[H:113])([C:56]([H:114])([H:115])[H:116])[H:117])[H:118])[O:61][H:137].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:132])([H:133])[H:134])([C:3]([H:62])([H:63])[H:64])[H:131])([H:129])[H:130])([C:57](=[O:58])[O:59][H:127])[H:128])[H:126])=[O:8])([H:124])[H:125])[H:123])=[O:12])([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])[H:122])[H:121]