Acetic Acid → [5-(1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-(2-chloro-6-fluoro-benzyl)-amine
Reaction equation
[C:37]([BH3-:38])#[N:39].[C:40]([OH:41])(=[O:42])[CH3:43].[CH2:44]([OH:45])[CH3:46].[Cl:27][c:28]1[c:29]([CH:30]=[O:31])[c:32]([F:36])[cH:33][cH:34][cH:35]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH2:19][c:20]3[cH:21][cH:22][c:23]([NH2:26])[n:24][cH:25]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH2:19][c:20]3[cH:21][cH:22][c:23]([NH:26][CH2:30][c:29]4[c:28]([Cl:27])[cH:35][cH:34][cH:33][c:32]4[F:36])[n:24][cH:25]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-5890b84212aa46adba48f995e81fe725
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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