Hexane → 2-(3-Hydroxymethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[C:11](=[O:43])[N:12]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:13]2[c:14]([cH:33][cH:34][cH:35][cH:36]2)[N:15]([CH2:18][C:19](=[O:20])[N:21]([c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[CH:30]([CH3:31])[CH3:32])[C:16]1=[O:17].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55]>>[OH:8][CH2:9][CH:10]1[C:11](=[O:43])[N:12]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:13]2[c:14]([cH:33][cH:34][cH:35][cH:36]2)[N:15]([CH2:18][C:19](=[O:20])[N:21]([c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[CH:30]([CH3:31])[CH3:32])[C:16]1=[O:17]Participants
4
Sources & evidence
- ORD record
- ord-51bbafec8581428d8458f616b2170ada
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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