EVODEX.1-P5145 - 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:26]([C@:21]([C:19]([N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:121])([H:122])[H:123])([C:3]([H:58])([H:59])[H:60])[H:120])([H:118])[H:119])([C:54](=[O:55])[O:56][H:116])[H:117])[H:115])=[O:8])([H:113])[H:114])[H:112])=[O:12])([C:14]([C:15]([C:16]([H:61])([H:62])[H:63])([C:17]([H:64])([H:65])[H:66])[H:67])([H:68])[H:69])[H:111])[H:110])=[O:20])([C:22]([C:23](=[O:24])[O:25][H:70])([H:71])[H:72])[H:109])[H:108])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:26]([C@:21]([C:19]([N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:121])([H:122])[H:123])([C:3]([H:58])([H:59])[H:60])[H:120])([H:118])[H:119])([C:54](=[O:55])[O:56][H:116])[H:117])[H:115])=[O:8])([H:113])[H:114])[H:112])=[O:12])([C:14]([C:15]([C:16]([H:61])([H:62])[H:63])([C:17]([H:64])([H:65])[H:66])[H:67])([H:68])[H:69])[H:111])[H:110])=[O:20])([C:22]([C:23](=[O:24])[O:25][H:70])([H:71])[H:72])[H:109])[H:108]

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-R5914

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