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EVODEX.1-P5777

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C@:2]([C:3]([C:4]1:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:1[H:26])([H:27])[H:28])([C:10](=[O:11])[O:12][H:29])[H:30])[H:31]>>[H]C1:C([H]):C([H]):C(C(=O)[N:1]([C@:2]([C:3]([C:4]2:[C:5]([H:22]):[C:6]([H:23]):[C:7]([H:24]):[C:8]([H:25]):[C:9]:2[H:26])([H:27])[H:28])([C:10](=[O:11])[O:12][H:29])[H:30])[H:31]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F212 - Elemental Balance

C7
O1
H4

EVODEX.1-M283 - Mass Difference

104.02622

EVODEX.1-E919 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5](-[#6@:4])(-[H:21])-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H:21]

EVODEX.1-C291 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:6]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7:6]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-N330 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@:5])-[H:22]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7:6](-[#6@:5])-[H:22]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R6472

Full Reaction Rendering

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