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EVODEX.1-P7417

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])[H:71]>>[H]C1:N:C(C([H])([H])[C@@]([H])(C(=O)[N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])[H:71])N([H])[H]):C([H]):N:1[H]

Derived Operators

EVODEX.1-F32 - Elemental Balance

O1
C6
N3
H7

EVODEX.1-M97 - Mass Difference

137.05901

EVODEX.1-E477 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:12](-[#6@@:13])(-[H:64])-[H]>>[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:64])-[H])(-[H])-[H]

EVODEX.1-C821 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:12]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H]

EVODEX.1-N1032 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:12](-[#6@@:13])-[H:64]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:64])-[#7](-[H])-[H]):[#6](-[H]):[#7]: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-R7850

Full Reaction Rendering

[N:19]([C:20]1:[N:21]:[C:22]([H:50]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:51]):[N:28]:2[C@:29]1([H:52])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:53])[O:37][P:38](=[O:39])([O:40][H:54])[O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56])([H:57])[H:58])([H:59])[C@:46]([O:47][H:60])([H:61])[C@:48]1([O:49][H:62])[H:63])([H:64])[H:65].[H][N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])[H:71].[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:73]):[N:13]([H:74]):[C:14]([H:75]):[N:15]:1)([H:76])[H:77])([C:16](=[O:17])[O:18][H:78])[H:79])([H:80])[H:81]>>[N:1]([C@@:2]([C:3]([O:4][H:66])([H:67])[H:68])([C:5](=[O:6])[O:7][H:69])[H:70])([C:16]([C@@:9]([N:8]([H:80])[H:81])([C:10]([C:11]1:[C:12]([H:73]):[N:13]([H:74]):[C:14]([H:75]):[N:15]:1)([H:76])[H:77])[H:79])=[O:17])[H:71].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:59])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:50]):[N:21]:[C:20]([N:19]([H:64])[H:65]):[C:25]:3:[N:26]:[C:27]:2[H:51])([H:52])[C@@:48]([O:49][H:62])([H:63])[C@@:46]1([O:47][H:60])[H:61])([H:57])[H:58])(=[O:35])[O:36][H:53])(=[O:39])[O:40][H:54])[H:78].[H][O:41][P:42](=[O:43])([O:44][H:55])[O:45][H:56]