SMIRKS
[C:12]([S+:13]([C:14]([C:15]([C@:16]([N:17]([H:39])[H:40])([C:18](=[O:19])[O:20][H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[C:21]([C@@:22]1([H:47])[O:23][C@:24]([N:25]2:[C:26]([H:48]):[N:27]:[C:28]3:[C:29]([N:30]([H:49])[H:50]):[N:31]:[C:32]([H:51]):[N:33]:[C:34]:2:3)([H:52])[C@@:35]([O:36][H:53])([H:54])[C@@:37]1([O:38][H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[H][N:8]([C:7]([C:6]([C:5]([C:4]([C@:3]([N:2]([C:1]([H:75])([H:76])[H:77])[H:74])([C:9](=[O:10])[O:11][H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])[H:62]>>[C:1]([N:2]([C@@:3]([C:4]([C:5]([C:6]([C:7]([N:8]([C:12]([H:59])([H:60])[H:61])[H:62])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([C:9](=[O:10])[O:11][H:72])[H:73])[H:74])([H:75])([H:76])[H:77].[S:13]([C:14]([C:15]([C@:16]([N:17]([H:39])[H:40])([C:18](=[O:19])[O:20][H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[C:21]([C@@:22]1([H:47])[O:23][C@:24]([N:25]2:[C:26]([H:48]):[N:27]:[C:28]3:[C:29]([N:30]([H:49])[H:50]):[N:31]:[C:32]([H:51]):[N:33]:[C:34]:2:3)([H:52])[C@@:35]([O:36][H:53])([H:54])[C@@:37]1([O:38][H:55])[H:56])([H:57])[H:58]
Derived Operators
EVODEX.1-M23 - Mass Difference
-1.00783
EVODEX.1-E36 - Reaction Operator E
[#6:1](-[#16:2](-[#6:3])-[#6:10])(-[H:56])(-[H:57])-[H:58].[#7:28](-[#6:29])(-[H:66])-[H]>>[#6:1](-[#7:28](-[#6:29])-[H:66])(-[H:56])(-[H:57])-[H:58].[#16:2](-[#6:3])-[#6:10]
EVODEX.1-C1053 - Reaction Operator C
([H]-[#7:10].[#6@@:5]).[#6:73]-[#16:75]>>([#7:10]-[#6:73].[#6@:5]).[H]-[#16:75]
EVODEX.1-N1509 - Reaction Operator N
[#6:12](-[#16:13](-[#6:14])-[#6:21])(-[H:59])(-[H:60])-[H:61].([H]-[#7:8](-[#6:7])-[H:62].[#6:4]-[#6@:3](-[#7:2])(-[#6:9])-[H:73])>>([#7:2]-[#6@@:3](-[#6:4])(-[#6:9])-[H:73].[#6:7]-[#7:8](-[#6:12](-[H:59])(-[H:60])-[H:61])-[H:62]).[#16:13](-[#6:14])-[#6:21]
EVODEX.1-Em396 - Reaction Operator Em
[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#7:28]-[#6:29]>>[#6:1]-[#7:28]-[#6:29].[#16:2](-[#6:3])-[#6:10]
EVODEX.1-Nm356 - Reaction Operator Nm
[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#7:28]-[#6:29]>>[#6:1]-[#7:28]-[#6:29].[#16:2](-[#6:3])-[#6:10]
Source Full Reactions
EVODEX.1-R1265
[C:12]([S+:13]([C:14]([C:15]([C@:16]([N:17]([H:39])[H:40])([C:18](=[O:19])[O:20][H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[C:21]([C@@:22]1([H:47])[O:23][C@:24]([N:25]2:[C:26]([H:48]):[N:27]:[C:28]3:[C:29]([N:30]([H:49])[H:50]):[N:31]:[C:32]([H:51]):[N:33]:[C:34]:2:3)([H:52])[C@@:35]([O:36][H:53])([H:54])[C@@:37]1([O:38][H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[H][N:8]([C:7]([C:6]([C:5]([C:4]([C@:3]([N:2]([C:1]([H:75])([H:76])[H:77])[H:74])([C:9](=[O:10])[O:11][H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])[H:62]>>[C:1]([N:2]([C@@:3]([C:4]([C:5]([C:6]([C:7]([N:8]([C:12]([H:59])([H:60])[H:61])[H:62])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([C:9](=[O:10])[O:11][H:72])[H:73])[H:74])([H:75])([H:76])[H:77].[HH].[S:13]([C:14]([C:15]([C@:16]([N:17]([H:39])[H:40])([C:18](=[O:19])[O:20][H:41])[H:42])([H:43])[H:44])([H:45])[H:46])[C:21]([C@@:22]1([H:47])[O:23][C@:24]([N:25]2:[C:26]([H:48]):[N:27]:[C:28]3:[C:29]([N:30]([H:49])[H:50]):[N:31]:[C:32]([H:51]):[N:33]:[C:34]:2:3)([H:52])[C@@:35]([O:36][H:53])([H:54])[C@@:37]1([O:38][H:55])[H:56])([H:57])[H:58]