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EVODEX.1-P833

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([C:3]([H:60])([H:61])[H:62])[C@@:4]1([H:63])[C:5]([H:64])([H:65])[C:6]([H:66])([H:67])[C:7]([C:8]([H:68])([H:69])[H:70])=[C:9]([H:71])[C:10]1=[O:11])([H:72])[H:73]>>[H][C@@:7]1([C:8]([H:68])([H:69])[H:70])[C:6]([H:66])([H:67])[C:5]([H:64])([H:65])[C@@:4]([C:2](=[C:1]([H:72])[H:73])[C:3]([H:60])([H:61])[H:62])([H:63])[C:10](=[O:11])[C:9]1([H])[H:71]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C36 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]=[#6:6]>>[H]-[#6:5]-[#6:6]-[H]

EVODEX.1-N33 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](=[#6:6](-[#6:7])-[#6:10])-[H:62]>>[H]-[#6:5](-[#6:4])(-[#6:6](-[H])(-[#6:7])-[#6:10])-[H:62]

EVODEX.1-Em318 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#6:3]-[#6:4]=[#8:5])-[#6:10]>>[H]-[#6:2](-[#6:1])(-[#6:3](-[H])-[#6:4]=[#8:5])-[#6:10]

EVODEX.1-Cm62 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]=[#6:6]>>[H]-[#6:5]-[#6:6]-[H]

EVODEX.1-Nm70 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]=[#6:6](-[#6:7])-[#6:10]>>[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#6:7])-[#6:10]

Source Full Reactions

EVODEX.1-R802

Full Reaction Rendering

[C:1](=[C:2]([C:3]([H:60])([H:61])[H:62])[C@@:4]1([H:63])[C:5]([H:64])([H:65])[C:6]([H:66])([H:67])[C:7]([C:8]([H:68])([H:69])[H:70])=[C:9]([H:71])[C:10]1=[O:11])([H:72])[H:73].[HH].[H][C:59]1([H:100])[C:15]([C:13]([N:12]([H:102])[H:103])=[O:14])=[C:16]([H:74])[N:17]([C@:18]2([H:75])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:76])[O:26][P:27](=[O:28])([O:29][H:77])[O:30][C:31]([C@@:32]3([H:78])[O:33][C@:34]([N:35]4:[C:36]([H:79]):[N:37]:[C:38]5:[C:39]([N:40]([H:80])[H:81]):[N:41]:[C:42]([H:82]):[N:43]:[C:44]:4:5)([H:83])[C@@:45]([O:46][P:47](=[O:48])([O:49][H:84])[O:50][H:85])([H:86])[C@@:51]3([O:52][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:53]([O:54][H:94])([H:95])[C@:55]2([O:56][H:96])[H:97])[C:57]([H:98])=[C:58]1[H:99]>>[H][C@@:7]1([C:8]([H:68])([H:69])[H:70])[C:6]([H:66])([H:67])[C:5]([H:64])([H:65])[C@@:4]([C:2](=[C:1]([H:72])[H:73])[C:3]([H:60])([H:61])[H:62])([H:63])[C:10](=[O:11])[C:9]1([H])[H:71].[N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:74]):[N+:17]([C@:18]2([H:75])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:76])[O:26][P:27](=[O:28])([O:29][H:77])[O:30][C:31]([C@@:32]3([H:78])[O:33][C@:34]([N:35]4:[C:36]([H:79]):[N:37]:[C:38]5:[C:39]([N:40]([H:80])[H:81]):[N:41]:[C:42]([H:82]):[N:43]:[C:44]:4:5)([H:83])[C@@:45]([O:46][P:47](=[O:48])([O:49][H:84])[O:50][H:85])([H:86])[C@@:51]3([O:52][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:53]([O:54][H:94])([H:95])[C@:55]2([O:56][H:96])[H:97]):[C:57]([H:98]):[C:58]([H:99]):[C:59]:1[H:100])([H:102])[H:103]