SMIRKS
[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:68]):[C:13]([H:69]):[C:14]([H:70]):[C:15]([H:71]):[C:16]:1[H:72])([H:73])[H:74])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:75])[H:76])([C:30]([C:31]1:[C:32]([H:77]):[C:33]([H:78]):[C:34]([O:35][H:79]):[C:36]([H:80]):[C:37]:1[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93])([C:38](=[O:39])[N:40]([C@@:41]([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:94])[N:48]([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]([C:55]([N:56]([C:57](=[N:58][H:104])[N:59]([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([C:60](=[O:61])[O:62][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]O[C:38]([C@:5]([C:4]([C:2]([C:1]([H:123])([H:124])[H:125])([C:3]([H:65])([H:66])[H:67])[H:122])([H:120])[H:121])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:68]):[C:13]([H:69]):[C:14]([H:70]):[C:15]([H:71]):[C:16]:1[H:72])([H:73])[H:74])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:75])[H:76])([C:30]([C:31]1:[C:32]([H:77]):[C:33]([H:78]):[C:34]([O:35][H:79]):[C:36]([H:80]):[C:37]:1[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93])[H:119])=[O:39].[H]O[C:49]([C@@:41]([N:40]([H])[H:118])([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:94])[N:48]([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])[H:117])=[O:50].[H][N:51]([C@@:52]([C:53]([C:54]([C:55]([N:56]([C:57](=[N:58][H:104])[N:59]([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([C:60](=[O:61])[O:62][H:114])[H:115])[H:116]
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-C903 - Reaction Operator C
([#7:6]-[#6:7].[#6:58]-[#7:60])>>[H]-[#8]-[#6:7].([H]-[#8]-[#6:58].[#7:6]-[H]).[H]-[#7:60]
EVODEX.1-N1382 - Reaction Operator N
[#6:38](-[#6@:5])(=[#8:39])-[#7:40](-[#6@@:41]-[#6:49](=[#8:50])-[#7:51](-[#6@@:52])-[H:116])-[H:118]>>[H]-[#8]-[#6:38](-[#6@:5])=[#8:39].[H]-[#8]-[#6:49](-[#6@@:41]-[#7:40](-[H])-[H:118])=[#8:50].[H]-[#7:51](-[#6@@:52])-[H:116]
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-R5694
[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:68]):[C:13]([H:69]):[C:14]([H:70]):[C:15]([H:71]):[C:16]:1[H:72])([H:73])[H:74])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:75])[H:76])([C:30]([C:31]1:[C:32]([H:77]):[C:33]([H:78]):[C:34]([O:35][H:79]):[C:36]([H:80]):[C:37]:1[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93])([C:38](=[O:39])[N:40]([C@@:41]([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:94])[N:48]([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([C:49](=[O:50])[N:51]([C@@:52]([C:53]([C:54]([C:55]([N:56]([C:57](=[N:58][H:104])[N:59]([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([C:60](=[O:61])[O:62][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][O:63][H:126].[H][O:64][H:128]>>[C:1]([C:2]([C:3]([H:65])([H:66])[H:67])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:68]):[C:13]([H:69]):[C:14]([H:70]):[C:15]([H:71]):[C:16]:1[H:72])([H:73])[H:74])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:75])[H:76])([C:30]([C:31]1:[C:32]([H:77]):[C:33]([H:78]):[C:34]([O:35][H:79]):[C:36]([H:80]):[C:37]:1[H:81])([H:82])[H:83])[H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93])([C:38](=[O:39])[O:63][H:126])[H:119])([H:120])[H:121])[H:122])([H:123])([H:124])[H:125].[H][N:40]([C@@:41]([C:42]([C:43]([C:44]([N:45]([C:46](=[N:47][H:94])[N:48]([H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([C:49](=[O:50])[O:64][H:128])[H:117])[H:118].[H][N:51]([C@@:52]([C:53]([C:54]([C:55]([N:56]([C:57](=[N:58][H:104])[N:59]([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([C:60](=[O:61])[O:62][H:114])[H:115])[H:116]