Ammonium → Carbamic acid, N-[4-chloro-5-[[5-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]hydroxymethyl]-2-thiazolyl]-, 1,1-dimethylethyl ester

HRID 107743Notes

Reaction equation

HRID 107743 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([NH:32][c:33]1[s:34][c:35]([CH:39]=[O:40])[c:36]([Cl:38])[n:37]1)=[O:41].[CH:22]([Mg+:23])([CH3:24])[CH3:25].[Cl-:21].[Cl-:42].[NH4+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]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:35]3[s:34][c:33]([NH:32][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:41])[n:37][c:36]3[Cl:38])[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 45117878Tert-butyl (4-chloro-5-formylthiazol-2-yl)carbamateHCID 178461726HCID 178461726, compound

Product 1

HCID 57619425Carbamic acid, N-[4-chloro-5-[[5-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]hydroxymethyl]-2-thiazolyl]-, 1,1-dimethylethyl ester

Sources & evidence

ORD record
ord-de17611924854e6ea26a8fa8636214f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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