EVODEX.1-P5442 - Partial Reaction

SMIRKS

[H]C([H])([H])C(=O)[N:4]([C@:5]1([H:45])[C@:6]([O:7][H:46])([H:47])[C@@:8]([O:9][C@:10]2([H:48])[O:11][C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([H:52])[C@:15]([O:16][C@:17]3([H:53])[O:18][C@@:19]([C:20]([O:21][H:54])([H:55])[H:56])([H:57])[C@:22]([O:23][H:58])([H:59])[C@@:24]([O:25][H:60])([H:61])[C@:26]3([N:27]([C:28]([C:29]([H:62])([H:63])[H:64])=[O:30])[H:65])[H:66])([H:67])[C@@:31]([O:32][H:68])([H:69])[C@:33]2([N:34]([C:35]([C:36]([H:70])([H:71])[H:72])=[O:37])[H:73])[H:74])([H:75])[C@:38]([C:39]([O:40][H:76])([H:77])[H:78])([H:79])[O:41][C@:42]1([O:43][H:80])[H:81])[H:82]>>[H][N:4]([C@:5]1([H:45])[C@:6]([O:7][H:46])([H:47])[C@@:8]([O:9][C@:10]2([H:48])[O:11][C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([H:52])[C@:15]([O:16][C@:17]3([H:53])[O:18][C@@:19]([C:20]([O:21][H:54])([H:55])[H:56])([H:57])[C@:22]([O:23][H:58])([H:59])[C@@:24]([O:25][H:60])([H:61])[C@:26]3([N:27]([C:28]([C:29]([H:62])([H:63])[H:64])=[O:30])[H:65])[H:66])([H:67])[C@@:31]([O:32][H:68])([H:69])[C@:33]2([N:34]([C:35]([C:36]([H:70])([H:71])[H:72])=[O:37])[H:73])[H:74])([H:75])[C@:38]([C:39]([O:40][H:76])([H:77])[H:78])([H:79])[O:41][C@:42]1([O:43][H:80])[H:81])[H:82]

Derived Operators

EVODEX.1-F31 - Elemental Balance

O	-1
C	-2
H	-2

EVODEX.1-M82 - Mass Difference

-42.01056

EVODEX.1-E473 - Reaction Operator E

[#6](-[#6](=[#8])-[#7:4](-[#6:5])-[H:62])(-[H])(-[H])-[H]>>[#7:4](-[#6:5])(-[H:62])-[H]

EVODEX.1-C678 - Reaction Operator C

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#7:4]>>[H]-[#7:4]

EVODEX.1-N836 - Reaction Operator N

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#7:4](-[#6:5])-[H:103]>>[H]-[#7:4](-[#6:5])-[H:103]

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-R6191

[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:45])[C@:6]([O:7][H:46])([H:47])[C@@:8]([O:9][C@:10]2([H:48])[O:11][C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([H:52])[C@:15]([O:16][C@:17]3([H:53])[O:18][C@@:19]([C:20]([O:21][H:54])([H:55])[H:56])([H:57])[C@:22]([O:23][H:58])([H:59])[C@@:24]([O:25][H:60])([H:61])[C@:26]3([N:27]([C:28]([C:29]([H:62])([H:63])[H:64])=[O:30])[H:65])[H:66])([H:67])[C@@:31]([O:32][H:68])([H:69])[C@:33]2([N:34]([C:35]([C:36]([H:70])([H:71])[H:72])=[O:37])[H:73])[H:74])([H:75])[C@:38]([C:39]([O:40][H:76])([H:77])[H:78])([H:79])[O:41][C@:42]1([O:43][H:80])[H:81])[H:82])([H:83])([H:84])[H:85].[H][O:44][H:86]>>[C:1]([C:2](=[O:3])[O:44][H:86])([H:83])([H:84])[H:85].[H][N:4]([C@:5]1([H:45])[C@:6]([O:7][H:46])([H:47])[C@@:8]([O:9][C@:10]2([H:48])[O:11][C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([H:52])[C@:15]([O:16][C@:17]3([H:53])[O:18][C@@:19]([C:20]([O:21][H:54])([H:55])[H:56])([H:57])[C@:22]([O:23][H:58])([H:59])[C@@:24]([O:25][H:60])([H:61])[C@:26]3([N:27]([C:28]([C:29]([H:62])([H:63])[H:64])=[O:30])[H:65])[H:66])([H:67])[C@@:31]([O:32][H:68])([H:69])[C@:33]2([N:34]([C:35]([C:36]([H:70])([H:71])[H:72])=[O:37])[H:73])[H:74])([H:75])[C@:38]([C:39]([O:40][H:76])([H:77])[H:78])([H:79])[O:41][C@:42]1([O:43][H:80])[H:81])[H:82]