Water → methyl 2-[4-[(4-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-propoxypiperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylate

HRID 2317374Notes

Reaction equation

HRID 2317374 reaction equation
[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:17][c:18]1[cH:19][c:20]([C:24](=[O:25])[NH:26][CH:27]2[CH:28]([O:33][CH2:34][CH2:35][CH3:36])[CH2:29][NH:30][CH2:31][CH2:32]2)[nH:21][c:22]1[CH3:23].[Cl:1][c:2]1[s:3][c:4]([C:13](=[O:14])[O:15][CH3:16])[c:5](-[c:7]2[n:8][cH:9][n:10][n:11]2[CH3:12])[n:6]1.[OH2:46]>>[c:2]1([N:30]2[CH2:29][CH:28]([O:33][CH2:34][CH2:35][CH3:36])[CH:27]([NH:26][C:24]([c:20]3[cH:19][c:18]([Cl:17])[c:22]([CH3:23])[nH:21]3)=[O:25])[CH2:32][CH2:31]2)[s:3][c:4]([C:13](=[O:14])[O:15][CH3:16])[c:5](-[c:7]2[n:8][cH:9][n:10][n:11]2[CH3:12])[n:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 59208415Methyl 2-chloro-4-(1-methyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxylateHCID 178458774HCID 178458774, compound

Product 1

HCID 72274554methyl 2-[4-[(4-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-propoxypiperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylate

Sources & evidence

ORD record
ord-1fde69cd02994943a6ec91f50008477d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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