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EVODEX.1-P3513

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:3]([C:2](=[N:1][H:76])[N:4]([C:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([H:63])[H:64])([C:11](=[O:12])[O:13][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:61]>>[H]OP(=O)(O[H])[N:3]([C:2](=[N:1][H:76])[N:4]([C:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([H:63])[H:64])([C:11](=[O:12])[O:13][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:61]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1024 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:10]-[#7:12](-[H:46])-[H]>>[#6:10]-[#7:12](-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H:46]

EVODEX.1-C475 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:9]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#7:9]

EVODEX.1-N579 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:9](-[#6@@:8])-[H:62]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#7:9](-[#6@@:8])-[H:62]

EVODEX.1-Em560 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:9]-[#6:8]>>[#8]-[#15](=[#8])(-[#8])-[#7:9]-[#6:8]

EVODEX.1-Cm253 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:9]>>[#15]-[#7:9]

EVODEX.1-Nm506 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:9]-[#6:8]>>[#8]-[#15](=[#8])(-[#8])-[#7:9]-[#6:8]

Source Full Reactions

EVODEX.1-R4207

Full Reaction Rendering

[N:14]([C:15]1:[N:16]:[C:17]([H:45]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:46]):[N:23]:2[C@:24]1([H:47])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:48])[O:32][P:33](=[O:34])([O:35][H:49])[O:36][P:37](=[O:38])([O:39][H:50])[O:40][H:51])([H:52])[H:53])([H:54])[C@:41]([O:42][H:55])([H:56])[C@:43]1([O:44][H:57])[H:58])([H:59])[H:60].[H][N:3]([C:2](=[N:1][H:76])[N:4]([C:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([H:63])[H:64])([C:11](=[O:12])[O:13][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:61]>>[H][O:36][P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:54])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:45]):[N:16]:[C:15]([N:14]([H:59])[H:60]):[C:20]:3:[N:21]:[C:22]:2[H:46])([H:47])[C@@:43]([O:44][H:57])([H:58])[C@@:41]1([O:42][H:55])[H:56])([H:52])[H:53])(=[O:30])[O:31][H:48])(=[O:34])[O:35][H:49].[N:1](=[C:2]([N:3]([P:37](=[O:38])([O:39][H:50])[O:40][H:51])[H:61])[N:4]([C:5]([C:6]([C:7]([C:8]([C@:9]([N:10]([H:63])[H:64])([C:11](=[O:12])[O:13][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76]