EVODEX Logo

EVODEX.1-P531

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]1([H:79])[C:2](=[C:1]([H:121])[H:122])[C:8](=[C:9]([C:10](=[C:11]2[C:12]([H:87])([H:88])[C:13]([H:89])([H:90])[C:14]([H:91])([H:92])[C@:15]3([C:16]([H:93])([H:94])[H:95])[C@@:17]2([H:96])[C:18]([H:97])([H:98])[C:19]([H:99])([H:100])[C@:20]3([C@:21]([C:22]([H:101])([H:102])[H:103])([C:23]([C:24]([C:25]([C:26]([C:27]([H:104])([H:105])[H:106])([C:28]([H:107])([H:108])[H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[C:7]([H:85])([H:86])[C@:5]([O:6][H:83])([H:84])[C:4]1([H:81])[H:82]>>[H]O[C@@:3]1([H:79])[C:2](=[C:1]([H:121])[H:122])[C:8](=[C:9]([C:10](=[C:11]2[C:12]([H:87])([H:88])[C:13]([H:89])([H:90])[C:14]([H:91])([H:92])[C@:15]3([C:16]([H:93])([H:94])[H:95])[C@@:17]2([H:96])[C:18]([H:97])([H:98])[C:19]([H:99])([H:100])[C@:20]3([C@:21]([C:22]([H:101])([H:102])[H:103])([C:23]([C:24]([C:25]([C:26]([C:27]([H:104])([H:105])[H:106])([C:28]([H:107])([H:108])[H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[C:7]([H:85])([H:86])[C@:5]([O:6][H:83])([H:84])[C:4]1([H:81])[H:82]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E405 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#6:6])(-[H:103])-[H]>>[#6:4]-[#6@:5](-[#6:6])(-[#8]-[H])-[H:103]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N139 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[H:65])(-[#6@:4])-[#6:6]>>[H]-[#8]-[#6@:5](-[H:65])(-[#6@:4])-[#6:6]

EVODEX.1-Em222 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6]>>[H]-[#8]-[#6:5](-[#6:4])-[#6:6]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm221 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6]>>[H]-[#8]-[#6:5](-[#6:4])-[#6:6]

Source Full Reactions

EVODEX.1-R507

Full Reaction Rendering

[H][C:3]1([H:79])[C:2](=[C:1]([H:121])[H:122])[C:8](=[C:9]([C:10](=[C:11]2[C:12]([H:87])([H:88])[C:13]([H:89])([H:90])[C:14]([H:91])([H:92])[C@:15]3([C:16]([H:93])([H:94])[H:95])[C@@:17]2([H:96])[C:18]([H:97])([H:98])[C:19]([H:99])([H:100])[C@:20]3([C@:21]([C:22]([H:101])([H:102])[H:103])([C:23]([C:24]([C:25]([C:26]([C:27]([H:104])([H:105])[H:106])([C:28]([H:107])([H:108])[H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[C:7]([H:85])([H:86])[C@:5]([O:6][H:83])([H:84])[C:4]1([H:81])[H:82].[HH].[H][C:76]1([H:149])[C:32]([C:30]([N:29]([H:151])[H:152])=[O:31])=[C:33]([H:123])[N:34]([C@:35]2([H:124])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:125])[O:43][P:44](=[O:45])([O:46][H:126])[O:47][C:48]([C@@:49]3([H:127])[O:50][C@:51]([N:52]4:[C:53]([H:128]):[N:54]:[C:55]5:[C:56]([N:57]([H:129])[H:130]):[N:58]:[C:59]([H:131]):[N:60]:[C:61]:4:5)([H:132])[C@@:62]([O:63][P:64](=[O:65])([O:66][H:133])[O:67][H:134])([H:135])[C@@:68]3([O:69][H:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[C@:70]([O:71][H:143])([H:144])[C@:72]2([O:73][H:145])[H:146])[C:74]([H:147])=[C:75]1[H:148].[O:77]=[O:78]>>[H][O:77][C@@:3]1([H:79])[C:2](=[C:1]([H:121])[H:122])[C:8](=[C:9]([C:10](=[C:11]2[C:12]([H:87])([H:88])[C:13]([H:89])([H:90])[C:14]([H:91])([H:92])[C@:15]3([C:16]([H:93])([H:94])[H:95])[C@@:17]2([H:96])[C:18]([H:97])([H:98])[C:19]([H:99])([H:100])[C@:20]3([C@:21]([C:22]([H:101])([H:102])[H:103])([C:23]([C:24]([C:25]([C:26]([C:27]([H:104])([H:105])[H:106])([C:28]([H:107])([H:108])[H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[C:7]([H:85])([H:86])[C@:5]([O:6][H:83])([H:84])[C:4]1([H:81])[H:82].[N:29]([C:30](=[O:31])[C:32]1:[C:33]([H:123]):[N+:34]([C@:35]2([H:124])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:125])[O:43][P:44](=[O:45])([O:46][H:126])[O:47][C:48]([C@@:49]3([H:127])[O:50][C@:51]([N:52]4:[C:53]([H:128]):[N:54]:[C:55]5:[C:56]([N:57]([H:129])[H:130]):[N:58]:[C:59]([H:131]):[N:60]:[C:61]:4:5)([H:132])[C@@:62]([O:63][P:64](=[O:65])([O:66][H:133])[O:67][H:134])([H:135])[C@@:68]3([O:69][H:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[C@:70]([O:71][H:143])([H:144])[C@:72]2([O:73][H:145])[H:146]):[C:74]([H:147]):[C:75]([H:148]):[C:76]:1[H:149])([H:151])[H:152].[H][O:78][H]