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EVODEX.1-P7155

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:7]([C@:8]([C:9]([C:10]1:[C:11]([H:73]):[C:12]([H:74]):[C:13]([H:75]):[C:14]([H:76]):[C:15]:1[H:77])([H:78])[H:79])([C:16](=[O:17])[O:18][H:80])[H:81])[H:82]>>[H]N([H])[C@@]([H])(C(=O)[N:7]([C@:8]([C:9]([C:10]1:[C:11]([H:73]):[C:12]([H:74]):[C:13]([H:75]):[C:14]([H:76]):[C:15]:1[H:77])([H:78])[H:79])([C:16](=[O:17])[O:18][H:80])[H:81])[H:82])C([H])([H])[H]

Derived Operators

EVODEX.1-F223 - Elemental Balance

O1
C3
N1
H5

EVODEX.1-M74 - Mass Difference

71.03715000000001

EVODEX.1-E938 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:7](-[#6@@:8])(-[H:85])-[H]>>[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[H])(-[H])(-[H])-[H]

EVODEX.1-C819 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1030 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:7](-[#6@@:8])-[H:85]>>[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:7](-[#6@@:8])-[H:85])-[#6](-[H])(-[H])-[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-R7732

Full Reaction Rendering

[C:1]([C@@:2]([N:3]([H:50])[H:51])([C:4](=[O:5])[O:6][H:52])[H:53])([H:54])([H:55])[H:56].[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[H][N:7]([C@:8]([C:9]([C:10]1:[C:11]([H:73]):[C:12]([H:74]):[C:13]([H:75]):[C:14]([H:76]):[C:15]:1[H:77])([H:78])[H:79])([C:16](=[O:17])[O:18][H:80])[H:81])[H:82]>>[C:1]([C@@:2]([N:3]([H:50])[H:51])([C:4](=[O:5])[N:7]([C@:8]([C:9]([C:10]1:[C:11]([H:73]):[C:12]([H:74]):[C:13]([H:75]):[C:14]([H:76]):[C:15]:1[H:77])([H:78])[H:79])([C:16](=[O:17])[O:18][H:80])[H:81])[H:82])[H:53])([H:54])([H:55])[H:56].[H][O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63].[O:6]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])(=[O:39])[O:40][H:61])[H:52]