Acetic Acid → [5-(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-chloro-thiazol-2-yl]-(6-methoxy-pyridin-3-ylmethyl)-amine

HRID 2141892Notes

Reaction equation

HRID 2141892 reaction equation
[C:38]([BH3-:39])#[N:40].[C:41]([OH:42])(=[O:43])[CH3:44].[CH2:45]([OH:46])[CH3:47].[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([CH:36]=[O:37])[cH:34][n:35]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH2:20][c:21]3[c:22]([Cl:27])[n:23][c:24]([NH2:26])[s:25]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[c:22]([Cl:27])[n:23][c:24]([NH:26][CH2:36][c:33]4[cH:32][cH:31][c:30]([O:29][CH3:28])[n:35][cH:34]4)[s:25]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

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 498716Cyano-borohydrideHCID 33645766-Methoxypyridine-3-carbaldehydeHCID 576193502-Thiazolamine, 4-chloro-5-[[5-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-

Product 1

HCID 57619302[5-(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-chloro-thiazol-2-yl]-(6-methoxy-pyridin-3-ylmethyl)-amine

Sources & evidence

ORD record
ord-5d074a45672f4e51bdf072c7e292a51d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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