SMIRKS
[H][C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[H][C:2]1([C:1]([H:50])([H:51])[H:52])[N:3]([H])[C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49]>>[H]O[C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52]
Derived Operators
EVODEX.1-M29 - Mass Difference
13.97924
EVODEX.1-E428 - Reaction Operator E
[#6:8]-[#6:9](-[#6:10])(-[H:63])-[H].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[#6:8]-[#6:9](-[#6:10])(-[#8]-[H])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-C219 - Reaction Operator C
[H]-[#6:2].[H]-[#6@:28]-[#7:39]-[H]>>[H]-[#8]-[#6:2].[#6:28]=[#7:39]
EVODEX.1-N196 - Reaction Operator N
[H]-[#6:2](-[#6:1])(-[#6:3])-[H:77].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])(-[#6:3])-[H:77].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-Em278 - Reaction Operator Em
[H]-[#6:2](-[#6:1])-[#6:3].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-Cm197 - Reaction Operator Cm
[H]-[#6:2].[H]-[#6:28]-[#7:39]-[H]>>[#8]-[#6:2].[#6:28]=[#7:39]
EVODEX.1-Nm276 - Reaction Operator Nm
[H]-[#6:2](-[#6:1])-[#6:3].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29]
Source Full Reactions
EVODEX.1-R532
[H][C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[H][C:2]1([C:1]([H:50])([H:51])[H:52])[N:3]([H])[C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49].[O:26]=[O:27]>>[H][O:26][C:18]([C:17]1:[C:16]([H:29]):[C:15]([H:28]):[C:14]([C:13]([H:38])([H:39])[H:40]):[C:25]([H:37]):[C:24]:1[H:36])([C@:19]([N:20]([H:30])[H:31])([C:21](=[O:22])[O:23][H:32])[H:33])[H:34].[C:1]([C:2]1=[N:3][C:4]2:[C:5]([H:43]):[N:6]:[C:7]([H:44]):[N:8]:[C:9]:2[N:10]([H:45])[C:11]1([C:12]([H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:27][H]