EVODEX.1-P4832 - Partial Reaction

SMIRKS

[H]N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:13]([C:14]1:[C:15]([H:59]):[C:16]([H:60]):[C:17]2:[C:18](:[C:19]:1[H:61])[O:20][C:21]1:[C:22]([H:62]):[C:23]([N:24]([C:25](=[O:26])[C@:27]3([H:63])[C:28]([H:64])([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[N:31]3[C:32](=[O:33])[C@:34]([C:35]([H:70])([H:71])[H:72])([N:36]([H:73])[H:74])[H:75])[H:76]):[C:37]([H:77]):[C:38]([H:78]):[C:39]:1[C:40]21[O:41][C:42](=[O:43])[C:44]2:[C:45]([H:79]):[C:46]([H:80]):[C:47]([H:81]):[C:48]([H:82]):[C:49]:21)[H:83])C([H])([H])[H]>>[H][N:13]([C:14]1:[C:15]([H:59]):[C:16]([H:60]):[C:17]2:[C:18](:[C:19]:1[H:61])[O:20][C:21]1:[C:22]([H:62]):[C:23]([N:24]([C:25](=[O:26])[C@:27]3([H:63])[C:28]([H:64])([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[N:31]3[C:32](=[O:33])[C@:34]([C:35]([H:70])([H:71])[H:72])([N:36]([H:73])[H:74])[H:75])[H:76]):[C:37]([H:77]):[C:38]([H:78]):[C:39]:1[C:40]21[O:41][C:42](=[O:43])[C:44]2:[C:45]([H:79]):[C:46]([H:80]):[C:47]([H:81]):[C:48]([H:82]):[C:49]:21)[H:83]

Derived Operators

EVODEX.1-F484 - Elemental Balance

O	-2
C	-8
N	-2
H	-12

EVODEX.1-M461 - Mass Difference

-168.08996000000002

EVODEX.1-E1300 - Reaction Operator E

[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1(-[#6](=[#8])-[#7:13](-[#6:14])-[H:59])-[H])-[H])(-[H])(-[H])-[H]>>[#7:13](-[#6:14])(-[H:59])-[H]

EVODEX.1-C592 - Reaction Operator C

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:13])-[#6](-[H])(-[H])-[H]>>[H]-[#7:13]

EVODEX.1-N748 - Reaction Operator N

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:13](-[#6:14])-[H:83])-[#6](-[H])(-[H])-[H]>>[H]-[#7:13](-[#6:14])-[H:83]

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-R5631

[C:1]([C@:2]([N:3]([H:51])[H:52])([C:4](=[O:5])[N:6]1[C:7]([H:53])([H:54])[C:8]([H:55])([H:56])[C:9]([H:57])([H:58])[C@:10]1([C:11](=[O:12])[N:13]([C:14]1:[C:15]([H:59]):[C:16]([H:60]):[C:17]2:[C:18](:[C:19]:1[H:61])[O:20][C:21]1:[C:22]([H:62]):[C:23]([N:24]([C:25](=[O:26])[C@:27]3([H:63])[C:28]([H:64])([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[N:31]3[C:32](=[O:33])[C@:34]([C:35]([H:70])([H:71])[H:72])([N:36]([H:73])[H:74])[H:75])[H:76]):[C:37]([H:77]):[C:38]([H:78]):[C:39]:1[C:40]21[O:41][C:42](=[O:43])[C:44]2:[C:45]([H:79]):[C:46]([H:80]):[C:47]([H:81]):[C:48]([H:82]):[C:49]:21)[H:83])[H:84])[H:85])([H:86])([H:87])[H:88].[H][O:50][H:89]>>[C:1]([C@:2]([N:3]([H:51])[H:52])([C:4](=[O:5])[N:6]1[C:7]([H:53])([H:54])[C:8]([H:55])([H:56])[C:9]([H:57])([H:58])[C@:10]1([C:11](=[O:12])[O:50][H:89])[H:84])[H:85])([H:86])([H:87])[H:88].[H][N:13]([C:14]1:[C:15]([H:59]):[C:16]([H:60]):[C:17]2:[C:18](:[C:19]:1[H:61])[O:20][C:21]1:[C:22]([H:62]):[C:23]([N:24]([C:25](=[O:26])[C@:27]3([H:63])[C:28]([H:64])([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[N:31]3[C:32](=[O:33])[C@:34]([C:35]([H:70])([H:71])[H:72])([N:36]([H:73])[H:74])[H:75])[H:76]):[C:37]([H:77]):[C:38]([H:78]):[C:39]:1[C:40]21[O:41][C:42](=[O:43])[C:44]2:[C:45]([H:79]):[C:46]([H:80]):[C:47]([H:81]):[C:48]([H:82]):[C:49]:21)[H:83]