Chloride → 1-(1,3-benzodioxol-5-yl)-N-[5-[(tert-butylsulfinylamino)-(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

HRID 211186Notes

Reaction equation

HRID 211186 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl-:16].[Cl:46][CH2:47][Cl:48].[NH2:17][c:18]1[s:19][c:20]([CH:23]([NH:24][S:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:31]2[c:32]([Cl:38])[cH:33][c:34]([F:37])[cH:35][cH:36]2)[cH:21][n:22]1.[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[OH:15])[CH2:11][CH2:12]1)[cH:9]2.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:15])[NH:17][c:18]3[s:19][c:20]([CH:23]([NH:24][S:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:31]4[c:32]([Cl:38])[cH:33][c:34]([F:37])[cH:35][cH:36]4)[cH:21][n:22]3)[CH2:11][CH2:12]1)[cH:9]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 143496081-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acidHCID 76672737N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide

Product 1

HCID 725540341-(1,3-benzodioxol-5-yl)-N-[5-[(tert-butylsulfinylamino)-(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-864a45c7d1714534a7d8a8e97d92612e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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