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EVODEX.1-P61

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:61]):[C:5]([H:62]):[C:6]([C:7](=[C:8]([C:9](=[O:10])[H:63])[H:64])[H:65]):[C:11]([H:66]):[C:12]:1[H:67])([H:68])([H:69])[H:70]>>[H][C:9]([C:8](=[C:7]([C:6]1:[C:5]([H:62]):[C:4]([H:61]):[C:3]([O:2][C:1]([H:68])([H:69])[H:70]):[C:12]([H:67]):[C:11]:1[H:66])[H:65])[H:64])([O:10][H])[H:63]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C9 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-N89 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](=[#8:10])-[H:55]>>[H]-[#6:9](-[#6:8])(-[#8:10]-[H])-[H:55]

EVODEX.1-Em155 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:7]=[#6:8]-[#6:9]=[#8:10]>>[H]-[#6:9](-[#6:8]=[#6:7])-[#8:10]-[H]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm52 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R76

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:61]):[C:5]([H:62]):[C:6]([C:7](=[C:8]([C:9](=[O:10])[H:63])[H:64])[H:65]):[C:11]([H:66]):[C:12]:1[H:67])([H:68])([H:69])[H:70].[HH].[H][C:60]1([H:97])[C:16]([C:14]([N:13]([H:99])[H:100])=[O:15])=[C:17]([H:71])[N:18]([C@:19]2([H:72])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:73])[O:27][P:28](=[O:29])([O:30][H:74])[O:31][C:32]([C@@:33]3([H:75])[O:34][C@:35]([N:36]4:[C:37]([H:76]):[N:38]:[C:39]5:[C:40]([N:41]([H:77])[H:78]):[N:42]:[C:43]([H:79]):[N:44]:[C:45]:4:5)([H:80])[C@@:46]([O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82])([H:83])[C@@:52]3([O:53][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:54]([O:55][H:91])([H:92])[C@:56]2([O:57][H:93])[H:94])[C:58]([H:95])=[C:59]1[H:96]>>[H][C:9]([C:8](=[C:7]([C:6]1:[C:5]([H:62]):[C:4]([H:61]):[C:3]([O:2][C:1]([H:68])([H:69])[H:70]):[C:12]([H:67]):[C:11]:1[H:66])[H:65])[H:64])([O:10][H])[H:63].[N:13]([C:14](=[O:15])[C:16]1:[C:17]([H:71]):[N+:18]([C@:19]2([H:72])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:73])[O:27][P:28](=[O:29])([O:30][H:74])[O:31][C:32]([C@@:33]3([H:75])[O:34][C@:35]([N:36]4:[C:37]([H:76]):[N:38]:[C:39]5:[C:40]([N:41]([H:77])[H:78]):[N:42]:[C:43]([H:79]):[N:44]:[C:45]:4:5)([H:80])[C@@:46]([O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82])([H:83])[C@@:52]3([O:53][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:54]([O:55][H:91])([H:92])[C@:56]2([O:57][H:93])[H:94]):[C:58]([H:95]):[C:59]([H:96]):[C:60]:1[H:97])([H:99])[H:100]

EVODEX.1-R184

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([C:7](=[C:8]([C:9](=[O:10])[H:17])[H:18])[H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])([H:23])[H:24].[H][O:13][O:14][H]>>[H][C:9]([C:8](=[C:7]([C:6]1:[C:5]([H:16]):[C:4]([H:15]):[C:3]([O:2][C:1]([H:22])([H:23])[H:24]):[C:12]([H:21]):[C:11]:1[H:20])[H:19])[H:18])([O:10][H])[H:17].[O:13]=[O:14]