3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one → HCID 178442155, compound
Reaction equation
[Cl:44][c:45]1[cH:46][c:47]([CH2:48][CH:49]([C:50](=[O:51])[OH:52])[CH2:53][CH:54]=[CH2:55])[cH:56][cH:57][c:58]1[Cl:59].[NH2:1][CH:2]1[N:3]=[C:4]([c:17]2[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]2)[c:5]2[c:6]([cH:13][cH:14][cH:15][cH:16]2)[N:7]([CH:10]([CH3:11])[CH3:12])[C:8]1=[O:9].[NH2:24][CH:25]1[C:26](=[O:27])[N:28]([CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[C:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[N:43]1>>[NH:1]([CH:2]1[N:3]=[C:4]([c:17]2[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]2)[c:5]2[c:6]([cH:13][cH:14][cH:15][cH:16]2)[N:7]([CH:10]([CH3:11])[CH3:12])[C:8]1=[O:9])[C:50]([CH:49]([CH2:48][c:47]1[cH:46][c:45]([Cl:44])[c:58]([Cl:59])[cH:57][cH:56]1)[CH2:53][CH:54]=[CH2:55])=[O:51]Participants
4
Sources & evidence
- ORD record
- ord-52fa8fa2fb1844f6a47577cf9195022d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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