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EVODEX.1-P5998

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E320 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:12]-[#15:13](=[#8:14])(-[#8:15])-[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]-[#15:21].[#8:1](-[H:38])-[H].[#8:2](-[H:40])-[H]>>[#8:1](-[#15:13](-[#8:12])(=[#8:14])-[#8:15])-[H:38].[#8:20](-[#15:21])-[H].[#8:2](-[#15:17](-[#8:16]-[H])(=[#8:18])-[#8:19])-[H:40]

EVODEX.1-C719 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:4]-[#8:7]-[#15:8]-[#8:11].[H]-[#8:1].[H]-[#8:2]>>[H]-[#8:11].[H]-[#8:7]-[#15:8]-[#8:1].[#8:2]-[#15:4]

EVODEX.1-N886 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12].[H]-[#8:1]-[H:38].[H]-[#8:2]-[H:40]>>[H]-[#8:11]-[#15:12].[H]-[#8:7]-[#15:8](-[#8:1]-[H:38])(=[#8:9])-[#8:10].[#8:2](-[#15:4](=[#8:3])(-[#8:5])-[#8:6])-[H:40]

EVODEX.1-Em698 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12].[H]-[#8:1].[H]-[#8:2]>>[H]-[#8:11]-[#15:12].[H]-[#8:7]-[#15:8](-[#8:1])(=[#8:9])-[#8:10].[#8:2]-[#15:4](=[#8:3])(-[#8:5])-[#8:6]

EVODEX.1-Cm284 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#15:4]-[#8:7]-[#15:8]-[#8:11].[H]-[#8:1].[H]-[#8:2]>>[H]-[#8:11].[H]-[#8:7]-[#15:8]-[#8:1].[#8:2]-[#15:4]

EVODEX.1-Nm627 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12].[H]-[#8:1].[H]-[#8:2]>>[H]-[#8:11]-[#15:12].[H]-[#8:7]-[#15:8](-[#8:1])(=[#8:9])-[#8:10].[#8:2]-[#15:4](=[#8:3])(-[#8:5])-[#8:6]

Source Full Reactions

EVODEX.1-R6641

Full Reaction Rendering

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