EVODEX Logo

EVODEX.1-P2533

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OP(=O)(O[H])OP(=O)(O[H])O[C:19]([C:18](=[C:16]([C:15]([H:50])([H:51])[H:52])[C:17]([H:41])([H:42])[H:43])[H:49])([H:47])[H:48]>>[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[C:19]([C:18](=[C:16]([C:15]([H:50])([H:51])[H:52])[C:17]([H:41])([H:42])[H:43])[H:49])([H:47])[H:48]

Derived Operators

EVODEX.1-F84 - Elemental Balance

C5
H8

EVODEX.1-M106 - Mass Difference

68.06264

EVODEX.1-E653 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:38]-[#6:39](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:79])-[H:80]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])(-[#6:39](-[#6:38])(-[H:79])-[H:80])(-[H])-[H]

EVODEX.1-C394 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:39]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6:39]

EVODEX.1-N471 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:39](-[#6:38])(-[H:79])-[H:80]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6:39](-[#6:38])(-[H:79])-[H:80]

EVODEX.1-Em508 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#6:39]-[#6:38]>>[#6]-[#6](-[H])(-[H])-[#6:39]-[#6:38]

EVODEX.1-Cm147 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#6:39]>>[#6]-[#6:39]

EVODEX.1-Nm459 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#6:39]-[#6:38]>>[#6]-[#6](-[H])(-[H])-[#6:39]-[#6:38]

Source Full Reactions

EVODEX.1-R3280

Full Reaction Rendering

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