SMIRKS
[H][O:38][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:52])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:44]):[N:19]:[C:18]([N:17]([H:57])[H:58]):[C:23]:3:[N:24]:[C:25]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:40]1([O:41][H:53])[H:54])([H:50])[H:51])(=[O:33])[O:34][H:47])(=[O:37])[O:39][H:49].[N:1](=[C:2]([N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[N:12]([P:13](=[O:14])([O:15][H:68])[O:16][H:69])[H:70])[H:71]>>[H][N:12]([C:2](=[N:1][H:71])[N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[H:70].[P:13](=[O:14])([O:15][H:68])([O:16][H:69])[O:38][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:52])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:44]):[N:19]:[C:18]([N:17]([H:57])[H:58]):[C:23]:3:[N:24]:[C:25]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:40]1([O:41][H:53])[H:54])([H:50])[H:51])(=[O:33])[O:34][H:47])(=[O:37])[O:39][H:49]
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-R4206
[H][O:38][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:52])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:44]):[N:19]:[C:18]([N:17]([H:57])[H:58]):[C:23]:3:[N:24]:[C:25]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:40]1([O:41][H:53])[H:54])([H:50])[H:51])(=[O:33])[O:34][H:47])(=[O:37])[O:39][H:49].[N:1](=[C:2]([N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[N:12]([P:13](=[O:14])([O:15][H:68])[O:16][H:69])[H:70])[H:71]>>[H][N:12]([C:2](=[N:1][H:71])[N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[H:70].[P:13](=[O:14])([O:15][H:68])([O:16][H:69])[O:38][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:52])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:44]):[N:19]:[C:18]([N:17]([H:57])[H:58]):[C:23]:3:[N:24]:[C:25]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:40]1([O:41][H:53])[H:54])([H:50])[H:51])(=[O:33])[O:34][H:47])(=[O:37])[O:39][H:49]