EVODEX.1-P5147 - Partial Reaction

SMIRKS

[H]N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])([C:34](=[O:35])[N:36]([C@@:37]([C:38]([C:39]([C:40]([H:94])([H:95])[H:96])([C:41]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([C:42](=[O:43])[N:44]([C:45]([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([H:103])([H:104])[H:105])([C:53]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([C:54](=[O:55])[O:56][H:112])[H:113])[H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:93])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])([C:34](=[O:35])[N:36]([C@@:37]([C:38]([C:39]([C:40]([H:94])([H:95])[H:96])([C:41]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([C:42](=[O:43])[N:44]([C:45]([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([H:103])([H:104])[H:105])([C:53]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([C:54](=[O:55])[O:56][H:112])[H:113])[H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:93]

Derived Operators

EVODEX.1-F525 - Elemental Balance

O	-4
C	-19
N	-4
H	-34

EVODEX.1-M497 - Mass Difference

-382.25822

EVODEX.1-E1344 - Reaction Operator E

[#7:32](-[#6@:21])(-[#6](=[#8])-[#6@@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H:119]>>[#7:32](-[#6@:21])(-[H:119])-[H]

EVODEX.1-C646 - Reaction Operator C

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:24])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:24]

EVODEX.1-N801 - Reaction Operator N

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:24](-[#6@:21])-[H:106])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:24](-[#6@:21])-[H:106]

EVODEX.1-Em1 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5916

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([H:67])([H:68])[H:69])([C:25]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([N:26]([C:27](=[O:28])[C:29]([N:30]([H:76])[H:77])([H:78])[H:79])[H:80])[H:81])[H:82])[H:83])[H:84])([C:31]([C:32]([H:85])([H:86])[H:87])([C:33]([H:88])([H:89])[H:90])[H:91])[H:92])[H:93])([C:34](=[O:35])[N:36]([C@@:37]([C:38]([C:39]([C:40]([H:94])([H:95])[H:96])([C:41]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([C:42](=[O:43])[N:44]([C:45]([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([H:103])([H:104])[H:105])([C:53]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([C:54](=[O:55])[O:56][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].[H][O:57][H:128]>>[C:7](=[O:8])([C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([H:67])([H:68])[H:69])([C:25]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([N:26]([C:27](=[O:28])[C:29]([N:30]([H:76])[H:77])([H:78])[H:79])[H:80])[H:81])[H:82])[H:83])[H:84])([C:31]([C:32]([H:85])([H:86])[H:87])([C:33]([H:88])([H:89])[H:90])[H:91])[H:92])[O:57][H:128].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])([C:34](=[O:35])[N:36]([C@@:37]([C:38]([C:39]([C:40]([H:94])([H:95])[H:96])([C:41]([H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([C:42](=[O:43])[N:44]([C:45]([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]([C:52]([H:103])([H:104])[H:105])([C:53]([H:106])([H:107])[H:108])[H:109])([H:110])[H:111])([C:54](=[O:55])[O:56][H:112])[H:113])[H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:93]