EVODEX.1-P6251

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E155 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6:4](=[#8:5])-[H:19].[#6:10]-[#6:11](-[#8:12])(-[H:27])-[H]>>[#6:3]-[#6:4](-[#8:5]-[H])(-[#6:11](-[#6:10])(-[#8:12])-[H:27])-[H:19]

EVODEX.1-C1447 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3](-[#6@@:2])=[#8:4].[H]-[#6:18]>>[H]-[#8:4]-[#6@:3](-[#6@:2])-[#6@:18]

EVODEX.1-N1855 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6@@:2](-[#6:3](=[#8:4])-[H:26])(-[#7:5])-[H:35].[H]-[#6:18](-[#6:17])(-[#8:19])-[H:40]>>[H]-[#8:4]-[#6@:3](-[#6@:2](-[#6:1])(-[#7:5])-[H:35])(-[#6@:18](-[#6:17])(-[#8:19])-[H:40])-[H:26]

EVODEX.1-Em658 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]=[#6:16]-[#6:17].[H]-[#6:3](-[#6:2])-[#8:4]>>[H]-[#8:15]-[#6:16](-[#6:3](-[#6:2])-[#8:4])-[#6:17]

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm591 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]=[#6:16]-[#6:17].[H]-[#6:3](-[#6:2])-[#8:4]>>[H]-[#8:15]-[#6:16](-[#6:3](-[#6:2])-[#8:4])-[#6:17]

Source Full Reactions

EVODEX.1-R6855

Full Reaction Rendering

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