SMIRKS
[C:1]([C:2]([N:3]([C:4]([C:5](=[O:6])[O:7][H:42])([H:43])[H:44])[C:8](=[N:9][H:45])[N:10]([P:11](=[O:12])([O:13][H:46])[O:14][H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][O:36][P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:62])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:54]):[N:17]:[C:16]([N:15]([H:67])[H:68]):[C:21]:3:[N:22]:[C:23]:2[H:55])([H:56])[C@@:40]([O:41][H:65])([H:66])[C@@:38]1([O:39][H:63])[H:64])([H:60])[H:61])(=[O:31])[O:32][H:57])(=[O:35])[O:37][H:59]>>[H][N:10]([C:8]([N:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])[C:4]([C:5](=[O:6])[O:7][H:42])([H:43])[H:44])=[N:9][H:45])[H:48].[P:11](=[O:12])([O:13][H:46])([O:14][H:47])[O:36][P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:62])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:54]):[N:17]:[C:16]([N:15]([H:67])[H:68]):[C:21]:3:[N:22]:[C:23]:2[H:55])([H:56])[C@@:40]([O:41][H:65])([H:66])[C@@:38]1([O:39][H:63])[H:64])([H:60])[H:61])(=[O:31])[O:32][H:57])(=[O:35])[O:37][H:59]
Derived Operators
EVODEX.1-E176 - Reaction Operator E
[#6:10]-[#7:12](-[#15:13](=[#8:14])(-[#8:15])-[#8:16])-[H:48].([#15:36]-[#8:38]-[H].[#8:41]-[#6@@:40](-[#6@@:29])(-[H:67])-[#6@:42](-[#6@:27])(-[#8:43])-[H:69])>>[#6:10]-[#7:12](-[H:48])-[H].([#15:13](=[#8:14])(-[#8:15])(-[#8:16])-[#8:38]-[#15:36].[#8:43]-[#6@:42](-[#6@:27])(-[H:69])-[#6@@:40](-[#6@@:29])(-[#8:41])-[H:67])
EVODEX.1-C187 - Reaction Operator C
[#7:165]-[#15:166].[H]-[#8:170]>>[H]-[#7:165].[#15:166]-[#8:170]
EVODEX.1-N1229 - Reaction Operator N
[H]-[#8:35]-[#15:33].[#6:2]-[#7:9](-[#15:10](=[#8:11])(-[#8:12])-[#8:13])-[H:64]>>[H]-[#7:9](-[#6:2])-[H:64].[#15:10](=[#8:11])(-[#8:12])(-[#8:13])-[#8:35]-[#15:33]
EVODEX.1-Em561 - Reaction Operator Em
[#6:14]-[#7:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20].[H]-[#8:45]-[#15:43]>>[H]-[#7:16]-[#6:14].[#15:17](=[#8:18])(-[#8:19])(-[#8:20])-[#8:45]-[#15:43]
EVODEX.1-Nm507 - Reaction Operator Nm
[#6:14]-[#7:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20].[H]-[#8:45]-[#15:43]>>[H]-[#7:16]-[#6:14].[#15:17](=[#8:18])(-[#8:19])(-[#8:20])-[#8:45]-[#15:43]
Source Full Reactions
EVODEX.1-R4197
[C:1]([C:2]([N:3]([C:4]([C:5](=[O:6])[O:7][H:42])([H:43])[H:44])[C:8](=[N:9][H:45])[N:10]([P:11](=[O:12])([O:13][H:46])[O:14][H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][O:36][P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:62])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:54]):[N:17]:[C:16]([N:15]([H:67])[H:68]):[C:21]:3:[N:22]:[C:23]:2[H:55])([H:56])[C@@:40]([O:41][H:65])([H:66])[C@@:38]1([O:39][H:63])[H:64])([H:60])[H:61])(=[O:31])[O:32][H:57])(=[O:35])[O:37][H:59]>>[H][N:10]([C:8]([N:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])[C:4]([C:5](=[O:6])[O:7][H:42])([H:43])[H:44])=[N:9][H:45])[H:48].[P:11](=[O:12])([O:13][H:46])([O:14][H:47])[O:36][P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:62])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:54]):[N:17]:[C:16]([N:15]([H:67])[H:68]):[C:21]:3:[N:22]:[C:23]:2[H:55])([H:56])[C@@:40]([O:41][H:65])([H:66])[C@@:38]1([O:39][H:63])[H:64])([H:60])[H:61])(=[O:31])[O:32][H:57])(=[O:35])[O:37][H:59]