EVODEX.1-P4204

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:39]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:40]):[N:10]:2[C@:11]1([H:41])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:42])[O:19][P:20](=[O:21])([O:22][H:43])[O:23][C:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:44])[O:30][H:45])([C:31](=[O:32])[O:33][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[C@:34]([O:35][H:53])([H:54])[C@:36]1([O:37][H:55])[H:56])([H:57])[H:58].[H][O:38][H:59]>>[N:1]([C:2]1:[N:3]:[C:4]([H:39]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:40]):[N:10]:2[C@:11]1([H:41])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:42])[O:19][P:20](=[O:21])([O:22][H:43])[O:23][C:24]([C:25]([C:31](=[O:32])[O:33][H:46])([O:38][H:59])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[C@:34]([O:35][H:53])([H:54])[C@:36]1([O:37][H:55])[H:56])([H:57])[H:58].[H][O:26][P:27](=[O:28])([O:29][H:44])[O:30][H:45]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E148 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6@@:7](-[#8:8]-[#15:9])(-[H:45])-[#6@:23].[#8:32](-[H:54])-[H]>>[#6:6]-[#6@@:7](-[#8:32]-[H:54])(-[H:45])-[#6@:23].[#8:8](-[#15:9])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N1123 - Reaction Operator N

Reaction Operator N SMIRKS

[#15:3]-[#8:6]-[#6@:7](-[H:24])(-[#6@:8])-[#6@:16].[H]-[#8:1]-[H:36]>>[H]-[#8:6]-[#15:3].[#8:1](-[#6@@:7](-[H:24])(-[#6@:8])-[#6@:16])-[H:36]

EVODEX.1-Em620 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:3]-[#8:6]-[#6:7](-[#6:8])-[#6:16].[H]-[#8:1]>>[H]-[#8:6]-[#15:3].[#8:1]-[#6:7](-[#6:8])-[#6:16]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm555 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:3]-[#8:6]-[#6:7](-[#6:8])-[#6:16].[H]-[#8:1]>>[H]-[#8:6]-[#15:3].[#8:1]-[#6:7](-[#6:8])-[#6:16]

Source Full Reactions

EVODEX.1-R5052

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:39]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:40]):[N:10]:2[C@:11]1([H:41])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:42])[O:19][P:20](=[O:21])([O:22][H:43])[O:23][C:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:44])[O:30][H:45])([C:31](=[O:32])[O:33][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[C@:34]([O:35][H:53])([H:54])[C@:36]1([O:37][H:55])[H:56])([H:57])[H:58].[H][O:38][H:59]>>[N:1]([C:2]1:[N:3]:[C:4]([H:39]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:40]):[N:10]:2[C@:11]1([H:41])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:42])[O:19][P:20](=[O:21])([O:22][H:43])[O:23][C:24]([C:25]([C:31](=[O:32])[O:33][H:46])([O:38][H:59])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[C@:34]([O:35][H:53])([H:54])[C@:36]1([O:37][H:55])[H:56])([H:57])[H:58].[H][O:26][P:27](=[O:28])([O:29][H:44])[O:30][H:45]