Acetonitrile → 2-{4-[2-(5-Chloro-thiophen-2-yl)-ethenesulfonyl]-2-oxopiperazin-1-ylmethyl}pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:24])[CH2:20][NH:21][CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:44][C:45]#[N:46].[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH:38]=[CH:39][S:40](=[O:41])(=[O:42])[Cl:43])[s:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:17][N:18]2[C:19](=[O:24])[CH2:20][N:21]([S:40]([CH:39]=[CH:38][c:36]3[cH:35][cH:34][c:33]([Cl:32])[s:37]3)(=[O:41])=[O:42])[CH2:22][CH2:23]2)[cH:10][c:11]2[cH:12][n:13][cH:14][cH:15][c:16]12Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-e09042fe15e74558ab7872e75869aeef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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