EVODEX Logo

EVODEX.1-P1099

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F33 - Elemental Balance

O-1
H-2

EVODEX.1-M4 - Mass Difference

-18.010559999999998

EVODEX.1-E492 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:18]-[#6:19](=[#8])-[H:31].[#7:23](-[H:42])(-[H:43])-[H].[#8:24](-[#8:25]-[H])-[H]>>[#6:18]-[#6:19](-[#7:23](-[H:42])-[H:43])(-[H:31])-[H].[#8:24]=[#8:25]

EVODEX.1-C105 - Reaction Operator C

Reaction Operator C SMIRKS

[#8]=[#6:19].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19]-[#7:23].[#8:24]=[#8:25]

EVODEX.1-N244 - Reaction Operator N

Reaction Operator N SMIRKS

[#8]=[#6:19](-[#6:18])-[H:33].[H]-[#7:23](-[H:42])-[H:43].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19](-[#6:18])(-[#7:23](-[H:42])-[H:43])-[H:33].[#8:24]=[#8:25]

EVODEX.1-Em366 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]=[#6:19]-[#6:18].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19](-[#6:18])-[#7:23].[#8:24]=[#8:25]

EVODEX.1-Cm130 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]=[#6:19].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19]-[#7:23].[#8:24]=[#8:25]

EVODEX.1-Nm326 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]=[#6:19]-[#6:18].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19](-[#6:18])-[#7:23].[#8:24]=[#8:25]

Source Full Reactions

EVODEX.1-R1036

Full Reaction Rendering

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