SMIRKS
[H][N:2]([C:1]([H:46])([H:47])[H:48])[C:3]([C:4]([C:5]([C:6]([N:7]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44].[C:8]([S+:9]([C:10]([C:11]([C@:12]([N:13]([H:49])[H:50])([C:14](=[O:15])[O:16][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[C:17]([C@@:18]1([H:57])[O:19][C@:20]([N:21]2:[C:22]([H:58]):[N:23]:[C:24]3:[C:25]([N:26]([H:59])[H:60]):[N:27]:[C:28]([H:61]):[N:29]:[C:30]:2:3)([H:62])[C@@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71]>>[C:1]([N:2]([C:3]([C:4]([C:5]([C:6]([N:7]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:8]([H:69])([H:70])[H:71])([H:46])([H:47])[H:48].[S:9]([C:10]([C:11]([C@:12]([N:13]([H:49])[H:50])([C:14](=[O:15])[O:16][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[C:17]([C@@:18]1([H:57])[O:19][C@:20]([N:21]2:[C:22]([H:58]):[N:23]:[C:24]3:[C:25]([N:26]([H:59])[H:60]):[N:27]:[C:28]([H:61]):[N:29]:[C:30]:2:3)([H:62])[C@@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66])([H:67])[H:68]
Derived Operators
EVODEX.1-M23 - Mass Difference
-1.00783
EVODEX.1-E37 - Reaction Operator E
[#6:18]-[#7:19](-[H])-[#6@@:20].[#6:29](-[#16:30](-[#6:31])-[#6:38])(-[H:104])(-[H:105])-[H:106]>>[#6:18]-[#7:19](-[#6:29](-[H:104])(-[H:105])-[H:106])-[#6@@:20].[#16:30](-[#6:31])-[#6:38]
EVODEX.1-N272 - Reaction Operator N
[H]-[#7:2](-[#6:1])-[#6:3].[#6:8](-[#16:9](-[#6:10])-[#6:17])(-[H:69])(-[H:70])-[H:71]>>[#6:1]-[#7:2](-[#6:3])-[#6:8](-[H:69])(-[H:70])-[H:71].[#16:9](-[#6:10])-[#6:17]
EVODEX.1-Em397 - Reaction Operator Em
[H]-[#7:2](-[#6:1])-[#6:3].[#6:8]-[#16:9](-[#6:10])-[#6:17]>>[#6:1]-[#7:2](-[#6:3])-[#6:8].[#16:9](-[#6:10])-[#6:17]
EVODEX.1-Nm357 - Reaction Operator Nm
[H]-[#7:2](-[#6:1])-[#6:3].[#6:8]-[#16:9](-[#6:10])-[#6:17]>>[#6:1]-[#7:2](-[#6:3])-[#6:8].[#16:9](-[#6:10])-[#6:17]
Source Full Reactions
EVODEX.1-R1657
[H][N:2]([C:1]([H:46])([H:47])[H:48])[C:3]([C:4]([C:5]([C:6]([N:7]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44].[C:8]([S+:9]([C:10]([C:11]([C@:12]([N:13]([H:49])[H:50])([C:14](=[O:15])[O:16][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[C:17]([C@@:18]1([H:57])[O:19][C@:20]([N:21]2:[C:22]([H:58]):[N:23]:[C:24]3:[C:25]([N:26]([H:59])[H:60]):[N:27]:[C:28]([H:61]):[N:29]:[C:30]:2:3)([H:62])[C@@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71]>>[C:1]([N:2]([C:3]([C:4]([C:5]([C:6]([N:7]([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:8]([H:69])([H:70])[H:71])([H:46])([H:47])[H:48].[HH].[S:9]([C:10]([C:11]([C@:12]([N:13]([H:49])[H:50])([C:14](=[O:15])[O:16][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[C:17]([C@@:18]1([H:57])[O:19][C@:20]([N:21]2:[C:22]([H:58]):[N:23]:[C:24]3:[C:25]([N:26]([H:59])[H:60]):[N:27]:[C:28]([H:61]):[N:29]:[C:30]:2:3)([H:62])[C@@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66])([H:67])[H:68]