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EVODEX.1-P526

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([C:5]([C:6]([C:7]([H:80])([H:81])[H:82])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:83])([H:84])[H:85])=[C:13]([C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:89])([H:90])[H:91])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:92])([H:93])[H:94])[C:29]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[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])([H:121])[H:122])[H:123])[H:124])([H:125])([H:126])[H:127]>>O1[C:2]([C:1]([H:125])([H:126])[H:127])([H:124])[C:3]1([C:4]([C:5]([C:6]([C:7]([H:80])([H:81])[H:82])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:83])([H:84])[H:85])=[C:13]([C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:89])([H:90])[H:91])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:92])([H:93])[H:94])[C:29]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[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])([H:121])[H:122])[H:123]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E418 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124]>>[#6:1]-[#6:2]1(-[H:124])-[#6:3](-[#6:4])(-[H:123])-[#8]-1

EVODEX.1-C92 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6@:27]-[#6:28]-1

EVODEX.1-N126 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124]>>[#8]1-[#6:2](-[#6:1])(-[H:124])-[#6:3]-1(-[#6:4])-[H:123]

EVODEX.1-Em208 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm118 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6:27]-[#6:28]-1

EVODEX.1-Nm208 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R503

Full Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([C:5]([C:6]([C:7]([H:80])([H:81])[H:82])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:83])([H:84])[H:85])=[C:13]([C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:89])([H:90])[H:91])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:92])([H:93])[H:94])[C:29]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[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])([H:121])[H:122])[H:123])[H:124])([H:125])([H:126])[H:127].[HH].[H][C:77]1([H:154])[C:33]([C:31]([N:30]([H:156])[H:157])=[O:32])=[C:34]([H:128])[N:35]([C@:36]2([H:129])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:130])[O:44][P:45](=[O:46])([O:47][H:131])[O:48][C:49]([C@@:50]3([H:132])[O:51][C@:52]([N:53]4:[C:54]([H:133]):[N:55]:[C:56]5:[C:57]([N:58]([H:134])[H:135]):[N:59]:[C:60]([H:136]):[N:61]:[C:62]:4:5)([H:137])[C@@:63]([O:64][P:65](=[O:66])([O:67][H:138])[O:68][H:139])([H:140])[C@@:69]3([O:70][H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[C@:71]([O:72][H:148])([H:149])[C@:73]2([O:74][H:150])[H:151])[C:75]([H:152])=[C:76]1[H:153].[O:78]=[O:79]>>[C:1]([C:2]1([H:124])[C:3]([C:4]([C:5]([C:6]([C:7]([H:80])([H:81])[H:82])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:83])([H:84])[H:85])=[C:13]([C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([C:20]([C:21](=[C:22]([C:23]([H:89])([H:90])[H:91])[C:24]([C:25]([C:26](=[C:27]([C:28]([H:92])([H:93])[H:94])[C:29]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[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])([H:121])[H:122])([H:123])[O:79]1)([H:125])([H:126])[H:127].[N:30]([C:31](=[O:32])[C:33]1:[C:34]([H:128]):[N+:35]([C@:36]2([H:129])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:130])[O:44][P:45](=[O:46])([O:47][H:131])[O:48][C:49]([C@@:50]3([H:132])[O:51][C@:52]([N:53]4:[C:54]([H:133]):[N:55]:[C:56]5:[C:57]([N:58]([H:134])[H:135]):[N:59]:[C:60]([H:136]):[N:61]:[C:62]:4:5)([H:137])[C@@:63]([O:64][P:65](=[O:66])([O:67][H:138])[O:68][H:139])([H:140])[C@@:69]3([O:70][H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[C@:71]([O:72][H:148])([H:149])[C@:73]2([O:74][H:150])[H:151]):[C:75]([H:152]):[C:76]([H:153]):[C:77]:1[H:154])([H:156])[H:157].[H][O:78][H]