Water → 2-(1-(2-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)1H-pyrazol-4-yl)ethyl methanesulfonate

HRID 1235268

Reaction equation

HRID 1235268 reaction equation
[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][S:37]([Cl:38])(=[O:39])=[O:40].[Cl:42][CH2:43][Cl:44].[OH2:41].[OH:1][CH2:2][CH2:3][c:4]1[c:5]([C:25]([F:26])([F:27])[F:28])[n:6][n:7]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[c:14]([C:22](=[O:23])[NH2:24])[c:15]3[c:16]([s:17]2)[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:8]1>>[O:1]([CH2:2][CH2:3][c:4]1[c:5]([C:25]([F:26])([F:27])[F:28])[n:6][n:7]([CH2:9][C:10](=[O:11])[NH:12][c:13]2[c:14]([C:22](=[O:23])[NH2:24])[c:15]3[c:16]([s:17]2)[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:8]1)[S:37]([CH3:36])(=[O:39])=[O:40]

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 595204772-(2-(4-(2-Hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

Product 1

HCID 595204612-(1-(2-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)1H-pyrazol-4-yl)ethyl methanesulfonate

Sources & evidence

ORD record
ord-915cd17c148d494896773c92d27538ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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