Ammonium → (1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methylsulfanyl-pyrimidin-5-yl)-methanol

HRID 2330511Notes

Reaction equation

HRID 2330511 reaction equation
[CH3:26][S:27][c:28]1[n:29][cH:30][c:31]([CH:34]=[O:35])[cH:32][n:33]1.[CH:22]([Mg+:23])([CH3:24])[CH3:25].[Cl-:21].[Cl-:36].[NH4+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([I:20])[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]([CH:34]([c:31]3[cH:30][n:29][c:28]([S:27][CH3:26])[n:33][cH:32]3)[OH:35])[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

7

Reactant 6

HCID 223AmmoniumHCID 312Chloride2×HCID 8028TetrahydrofuranHCID 31518652-(Methylthio)-5-pyrimidinecarbaldehydeHCID 242292391-Benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridineHCID 178461726HCID 178461726, compound

Product 1

HCID 57619161(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methylsulfanyl-pyrimidin-5-yl)-methanol

Sources & evidence

ORD record
ord-5850e0a646d34fef9ab2382cdfc48e1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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