Isovaleryl chloride → 3-[N-(4-Chlorobenzyl)-3-(3-methylbutanoyl)-5-(quinolin-2-yl-methoxy)indol-2-yl]-2,2-dimethylpropanoic acid
Reaction equation
[CH3:41][CH:42]([CH2:43][C:44](=[O:45])[Cl:46])[CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:32][C:33]([C:34](=[O:35])[OH:36])([CH3:37])[CH3:38])[c:9]([C:28]([CH3:29])([CH3:30])[CH3:31])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:39][cH:40]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:32][C:33]([C:34](=[O:35])[OH:36])([CH3:37])[CH3:38])[c:9]([C:44]([CH2:43][CH:42]([CH3:41])[CH3:47])=[O:45])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:39][cH:40]1Participants
3
Sources & evidence
- ORD record
- ord-ae8df2f138de425c8df6830c2a3de569
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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