SMIRKS
[C:1]([C:2]([C:3]([H:57])([H:58])[H:59])([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:60])([H:61])[H:62])([C:17]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([N:18]([C:19](=[O:20])[C@:21]([C:22]([O:23][H:69])([H:70])[H:71])([N:24]([C:25](=[O:26])[C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:72])([H:73])[H:74])([C:35]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:81])([H:82])[H:83])([C:43]([H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:90])[H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])([C:49]([C:50]([H:99])([H:100])[H:101])([C:51]([H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])[H:111])([H:112])[H:113])[H:114])([C:52](=[O:53])[O:54][H:115])[H:116])([H:117])[H:118])[H:119])([H:120])([H:121])[H:122].[H][O:55][H:123].[H][O:56][H:125]>>[H][N:24]([C@:21]([C:19](=[O:20])[O:55][H:123])([C:22]([O:23][H:69])([H:70])[H:71])[H:108])[H:107].[C:25](=[O:26])([C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:72])([H:73])[H:74])([C:35]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:81])([H:82])[H:83])([C:43]([H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:90])[H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])([C:49]([C:50]([H:99])([H:100])[H:101])([C:51]([H:102])([H:103])[H:104])[H:105])[H:106])[O:56][H:125].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:120])([H:121])[H:122])([C:3]([H:57])([H:58])[H:59])[H:119])([H:117])[H:118])([C:52](=[O:53])[O:54][H:115])[H:116])[H:114])=[O:8])([H:112])[H:113])[H:111])=[O:12])([C:14]([C:15]([C:16]([H:60])([H:61])[H:62])([C:17]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])[H:110])[H:109]
Derived Operators
EVODEX.1-E302 - 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].[#8:60](-[H:135])-[H].[#8:61](-[H:137])-[H]>>[#6:16](=[#8:17])(-[#6@@:18]-[#7:19](-[H:117])-[H])-[#8:61]-[H:137].[#6:20](=[#8:21])(-[#6@:22])-[#8:60]-[H:135].[#7:15](-[#6@:9])(-[H:124])-[H]
EVODEX.1-C1129 - Reaction Operator C
([#7:18]-[#6:19].[#7:24]-[#6:25].[#6@:5]).[H]-[#8:53].[H]-[#8:54]>>([H]-[#7:24].[#6:19]-[#8:53]).[#6:25]-[#8:54].([H]-[#7:18].[#6@@:5])
EVODEX.1-N1396 - Reaction Operator N
([#6:4]-[#6@:5](-[#7:6])(-[#6:50])-[H:110].[#7:18](-[#6@:13])(-[#6:19](=[#8:20])-[#6@:21]-[#7:24](-[#6:25](=[#8:26])-[#6@:27])-[H:101])-[H:103]).[H]-[#8:53]-[H:117].[H]-[#8:54]-[H:119]>>[H]-[#7:24](-[#6@:21]-[#6:19](=[#8:20])-[#8:53]-[H:117])-[H:101].[#6:25](=[#8:26])(-[#6@:27])-[#8:54]-[H:119].([H]-[#7:18](-[#6@:13])-[H:103].[#7:6]-[#6@@:5](-[#6:4])(-[#6:50])-[H:110])
EVODEX.1-Em642 - Reaction Operator Em
[#6:21]-[#6:27](=[#8:28])-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#7:37]-[#6:38].[H]-[#8:68].[H]-[#8:69]>>[#6:21]-[#6:27](=[#8:28])-[#8:68].[H]-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#8:69].[H]-[#7:37]-[#6:38]
EVODEX.1-Cm155 - Reaction Operator Cm
([#7:6]-[#6:7].[#6:62]-[#7:64]).[H]-[#8:94].[H]-[#8:95]>>[#6:7]-[#8:94].([H]-[#7:6].[#6:62]-[#8:95]).[H]-[#7:64]
EVODEX.1-Nm577 - Reaction Operator Nm
[#6:21]-[#6:27](=[#8:28])-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#7:37]-[#6:38].[H]-[#8:68].[H]-[#8:69]>>[#6:21]-[#6:27](=[#8:28])-[#8:68].[H]-[#7:29]-[#6:30]-[#6:35](=[#8:36])-[#8:69].[H]-[#7:37]-[#6:38]
Source Full Reactions
EVODEX.1-R5921
[C:1]([C:2]([C:3]([H:57])([H:58])[H:59])([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:60])([H:61])[H:62])([C:17]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([N:18]([C:19](=[O:20])[C@:21]([C:22]([O:23][H:69])([H:70])[H:71])([N:24]([C:25](=[O:26])[C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:72])([H:73])[H:74])([C:35]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:81])([H:82])[H:83])([C:43]([H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:90])[H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])([C:49]([C:50]([H:99])([H:100])[H:101])([C:51]([H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])[H:111])([H:112])[H:113])[H:114])([C:52](=[O:53])[O:54][H:115])[H:116])([H:117])[H:118])[H:119])([H:120])([H:121])[H:122].[H][O:55][H:123].[H][O:56][H:125]>>[H][N:24]([C@:21]([C:19](=[O:20])[O:55][H:123])([C:22]([O:23][H:69])([H:70])[H:71])[H:108])[H:107].[C:25](=[O:26])([C@@:27]([N:28]([C:29](=[O:30])[C@:31]([C:32]([C:33]([C:34]([H:72])([H:73])[H:74])([C:35]([H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:81])([H:82])[H:83])([C:43]([H:84])([H:85])[H:86])[H:87])([H:88])[H:89])([N:44]([C:45](=[O:46])[C:47]([N:48]([H:90])[H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])[H:98])([C:49]([C:50]([H:99])([H:100])[H:101])([C:51]([H:102])([H:103])[H:104])[H:105])[H:106])[O:56][H:125].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:120])([H:121])[H:122])([C:3]([H:57])([H:58])[H:59])[H:119])([H:117])[H:118])([C:52](=[O:53])[O:54][H:115])[H:116])[H:114])=[O:8])([H:112])[H:113])[H:111])=[O:12])([C:14]([C:15]([C:16]([H:60])([H:61])[H:62])([C:17]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])[H:110])[H:109]