Acetic Acid → [5-[4-[(2-phenylbenzoyl)amino]benzoyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl] acetate
Reaction equation
[CH3:38][C:39]([OH:40])=[O:41].[O:61]=[C:62]([O:63][CH:64]([CH3:65])[CH3:66])[N:67]=[N:68][C:69]([O:70][CH:71]([CH3:72])[CH3:73])=[O:74].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[OH:1][CH:2]1[CH2:3][CH:4]2[N:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[N:12]([C:14]([c:15]3[cH:16][cH:17][c:18]([NH:21][C:22]([c:23]4[c:24](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[cH:25][cH:26][cH:27][cH:28]4)=[O:35])[cH:19][cH:20]3)=[O:36])[CH2:13]2)[CH2:37]1.[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[O:1]([CH:2]1[CH2:3][CH:4]2[N:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[N:12]([C:14]([c:15]3[cH:16][cH:17][c:18]([NH:21][C:22]([c:23]4[c:24](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[cH:25][cH:26][cH:27][cH:28]4)=[O:35])[cH:19][cH:20]3)=[O:36])[CH2:13]2)[CH2:37]1)[C:39]([CH3:38])=[O:40]Participants
6
Sources & evidence
- ORD record
- ord-269135658d9f4969a972bcef73a885f1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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