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EVODEX.1-P5778

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:6]([C@:5]([C:4]([C:2]([C:1]([H:29])([H:30])[H:31])([C:3]([H:19])([H:20])[H:21])[H:28])([H:26])[H:27])([C:7](=[O:8])[O:9][H:24])[H:25])[H:22]>>[H]C1:C([H]):C([H]):C(C(=O)[N:6]([C@:5]([C:4]([C:2]([C:1]([H:29])([H:30])[H:31])([C:3]([H:19])([H:20])[H:21])[H:28])([H:26])[H:27])([C:7](=[O:8])[O:9][H:24])[H:25])[H:22]):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-R6473

Full Reaction Rendering

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