SMIRKS
[H][N:5]([C:4]([C:3]([C:2]([C:1]([H:44])([H:45])[H:46])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[C:6]([H:34])([H:35])[H:36].[C:7]([S+:8]([C:9]([C:10]([C@:11]([N:12]([H:47])[H:48])([C:13](=[O:14])[O:15][H:49])[H:50])([H:51])[H:52])([H:53])[H:54])[C:16]([C@@:17]1([H:55])[O:18][C@:19]([N:20]2:[C:21]([H:56]):[N:22]:[C:23]3:[C:24]([N:25]([H:57])[H:58]):[N:26]:[C:27]([H:59]):[N:28]:[C:29]:2:3)([H:60])[C@@:30]([O:31][H:61])([H:62])[C@@:32]1([O:33][H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69]>>[C:1]([C:2]([C:3]([C:4]([N:5]([C:6]([H:34])([H:35])[H:36])[C:7]([H:67])([H:68])[H:69])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46].[S:8]([C:9]([C:10]([C@:11]([N:12]([H:47])[H:48])([C:13](=[O:14])[O:15][H:49])[H:50])([H:51])[H:52])([H:53])[H:54])[C:16]([C@@:17]1([H:55])[O:18][C@:19]([N:20]2:[C:21]([H:56]):[N:22]:[C:23]3:[C:24]([N:25]([H:57])[H:58]):[N:26]:[C:27]([H:59]):[N:28]:[C:29]:2:3)([H:60])[C@@:30]([O:31][H:61])([H:62])[C@@:32]1([O:33][H:63])[H:64])([H:65])[H:66]
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-R1652
[H][N:5]([C:4]([C:3]([C:2]([C:1]([H:44])([H:45])[H:46])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[C:6]([H:34])([H:35])[H:36].[C:7]([S+:8]([C:9]([C:10]([C@:11]([N:12]([H:47])[H:48])([C:13](=[O:14])[O:15][H:49])[H:50])([H:51])[H:52])([H:53])[H:54])[C:16]([C@@:17]1([H:55])[O:18][C@:19]([N:20]2:[C:21]([H:56]):[N:22]:[C:23]3:[C:24]([N:25]([H:57])[H:58]):[N:26]:[C:27]([H:59]):[N:28]:[C:29]:2:3)([H:60])[C@@:30]([O:31][H:61])([H:62])[C@@:32]1([O:33][H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69]>>[C:1]([C:2]([C:3]([C:4]([N:5]([C:6]([H:34])([H:35])[H:36])[C:7]([H:67])([H:68])[H:69])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46].[HH].[S:8]([C:9]([C:10]([C@:11]([N:12]([H:47])[H:48])([C:13](=[O:14])[O:15][H:49])[H:50])([H:51])[H:52])([H:53])[H:54])[C:16]([C@@:17]1([H:55])[O:18][C@:19]([N:20]2:[C:21]([H:56]):[N:22]:[C:23]3:[C:24]([N:25]([H:57])[H:58]):[N:26]:[C:27]([H:59]):[N:28]:[C:29]:2:3)([H:60])[C@@:30]([O:31][H:61])([H:62])[C@@:32]1([O:33][H:63])[H:64])([H:65])[H:66]