Ammonium → 5-[(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxy-methyl]-pyridin-2-yl-(2-fluoro-benzyl)-carbamic acid tert-butyl ester

HRID 1210306Notes

Reaction equation

HRID 1210306 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([N:32]([c:33]1[n:34][cH:35][c:36]([CH:39]=[O:40])[cH:37][cH:38]1)[CH2:41][c:42]1[c:43]([F:48])[cH:44][cH:45][cH:46][cH:47]1)=[O:49].[CH:22]([Mg+:23])([CH3:24])[CH3:25].[Cl-:21].[Cl-:50].[NH4+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]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:39]([c:36]3[cH:35][n:34][c:33]([N:32]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:49])[CH2:41][c:42]4[c:43]([F:48])[cH:44][cH:45][cH:46][cH:47]4)[cH:38][cH:37]3)[OH:40])[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 242292391-Benzenesulfonyl-5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridineHCID 57619276(2-Fluoro-benzyl)-(5-formyl-pyridin-2-yl)-carbamic acid tert-butyl esterHCID 178461726HCID 178461726, compound

Product 1

HCID 576191885-[(1-benzenesulfonyl-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxy-methyl]-pyridin-2-yl-(2-fluoro-benzyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-cab5fdc92d29482b80ba68833a468ba2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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