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EVODEX.1-P10

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3](=[O:4])[H:66])([C:5]1:[C:6]([H:67]):[C:7]([H:68]):[C:8]([H:69]):[C:9]([C:10]2([C:11]3:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:3[H:74])[O:17][C:18]([H:75])([H:76])[C:19]([H:77])([H:78])[O:20]2):[C:21]:1[H:79])[H:80])([H:81])([H:82])[H:83]>>[H][C:3]([C@@:2]([C:1]([H:81])([H:82])[H:83])([C:5]1:[C:6]([H:67]):[C:7]([H:68]):[C:8]([H:69]):[C:9]([C:10]2([C:11]3:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:3[H:74])[O:17][C:18]([H:75])([H:76])[C:19]([H:77])([H:78])[O:20]2):[C:21]:1[H:79])[H:80])([O:4][H])[H:66]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E23 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:49]=[#6:50](-[#6:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]>>[#8:49](-[#6:50](-[#6@:51](-[#6:52])(-[#6:55])-[H:117])(-[H:118])-[H])-[H]

EVODEX.1-C183 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:49]=[#6:50]-[#6:51]>>[H]-[#8:49]-[#6:50](-[H])-[#6@:51]

EVODEX.1-N104 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:49]=[#6:50](-[#6:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]>>[H]-[#8:49]-[#6:50](-[H])(-[#6@:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]

EVODEX.1-Em78 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[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-R10

Full Reaction Rendering

[C:1]([C:2]([C:3](=[O:4])[H:66])([C:5]1:[C:6]([H:67]):[C:7]([H:68]):[C:8]([H:69]):[C:9]([C:10]2([C:11]3:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:3[H:74])[O:17][C:18]([H:75])([H:76])[C:19]([H:77])([H:78])[O:20]2):[C:21]:1[H:79])[H:80])([H:81])([H:82])[H:83].[HH].[H][C:65]1([H:109])[C:25]([C:23]([N:22]([H:111])[H:112])=[O:24])=[C:26]([H:84])[N:27]([C@:28]2([H:85])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:86])[O:36][P:37](=[O:38])([O:39][H:87])[O:40][C:41]([C@@:42]3([H:88])[O:43][C@:44]([N:45]4:[C:46]([H:89]):[N:47]:[C:48]5:[C:49]([N:50]([H:90])[H:91]):[N:51]:[C:52]([H:92]):[N:53]:[C:54]:4:5)([H:93])[C@@:55]([O:56][H:94])([H:95])[C@@:57]3([O:58][H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[C@:59]([O:60][H:103])([H:104])[C@:61]2([O:62][H:105])[H:106])[C:63]([H:107])=[C:64]1[H:108]>>[H][C:3]([C@@:2]([C:1]([H:81])([H:82])[H:83])([C:5]1:[C:6]([H:67]):[C:7]([H:68]):[C:8]([H:69]):[C:9]([C:10]2([C:11]3:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:3[H:74])[O:17][C:18]([H:75])([H:76])[C:19]([H:77])([H:78])[O:20]2):[C:21]:1[H:79])[H:80])([O:4][H])[H:66].[N:22]([C:23](=[O:24])[C:25]1:[C:26]([H:84]):[N+:27]([C@:28]2([H:85])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:86])[O:36][P:37](=[O:38])([O:39][H:87])[O:40][C:41]([C@@:42]3([H:88])[O:43][C@:44]([N:45]4:[C:46]([H:89]):[N:47]:[C:48]5:[C:49]([N:50]([H:90])[H:91]):[N:51]:[C:52]([H:92]):[N:53]:[C:54]:4:5)([H:93])[C@@:55]([O:56][H:94])([H:95])[C@@:57]3([O:58][H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[C@:59]([O:60][H:103])([H:104])[C@:61]2([O:62][H:105])[H:106]):[C:63]([H:107]):[C:64]([H:108]):[C:65]:1[H:109])([H:111])[H:112]