Pyridine → cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxy-indol-2-yl)phenyl]-N-ethyl-carbamate
Reaction equation
[CH:1]1([n:5]2[c:6](-[c:19]3[cH:20][cH:21][c:22]([NH:25][CH2:26][CH3:27])[cH:23][cH:24]3)[c:7]([C:17]#[N:18])[c:8]3[cH:9][cH:10][c:11]([O:14][CH2:15][CH3:16])[cH:12][c:13]23)[CH2:2][CH2:3][CH2:4]1.[Cl:28][C:29](=[O:30])[O:31][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[Cl:37][C:38]([O-:39])=[O:40].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[CH:1]1([n:5]2[c:6](-[c:19]3[cH:20][cH:21][c:22]([N:25]([CH2:26][CH3:27])[C:29](=[O:30])[O:31][CH:32]4[CH2:33][CH2:34][CH2:35][CH2:36]4)[cH:23][cH:24]3)[c:7]([C:17]#[N:18])[c:8]3[cH:9][cH:10][c:11]([O:14][CH2:15][CH3:16])[cH:12][c:13]23)[CH2:2][CH2:3][CH2:4]1Participants
5
Sources & evidence
- ORD record
- ord-71708684e51546888cd04fdf733d4dfe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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