Acetic Acid → [5-(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-(5-fluoro-pyridin-3-ylmethyl)-amine

HRID 311876Notes

Reaction equation

HRID 311876 reaction equation
[C:41]([BH3-:42])#[N:43].[C:45](=[O:46])([O-:47])[O-:48].[CH3:28][C:29](=[O:30])[OH:31].[CH3:51][CH2:52][OH:53].[F:32][c:33]1[cH:34][c:35]([CH:39]=[O:40])[cH:36][n:37][cH:38]1.[K+:49].[K+:50].[Na+:44].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH2:20][c:21]3[cH:22][cH:23][c:24]([NH2:27])[n:25][cH:26]3)[c:13]3[c:14]2[n:15][cH:16][c:17]([Cl:19])[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]([CH2:20][c:21]3[cH:22][cH:23][c:24]([NH:27][CH2:39][c:35]4[cH:34][c:33]([F:32])[cH:38][n:37][cH:36]4)[n:25][cH:26]3)[c:13]3[c:14]2[n:15][cH:16][c:17]([Cl:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 813Potassium Cation2×HCID 923Sodium ionHCID 19660Carbonate IonHCID 498716Cyano-borohydrideHCID 141411595-Fluoropyridine-3-carbaldehydeHCID 576192232-Pyridinamine, 5-[[5-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-

Product 1

HCID 57619440[5-(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-(5-fluoro-pyridin-3-ylmethyl)-amine

Sources & evidence

ORD record
ord-d507a94076d441999c51d4c6c232deb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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