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

HRID 2138873Notes

Reaction equation

HRID 2138873 reaction equation
[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:17][c:18]1[c:19]([C:25](=[O:26])[NH:27][CH:28]2[CH:29]([O:34][CH2:35][CH:36]=[CH2:37])[CH2:30][NH:31][CH2:32][CH2:33]2)[nH:20][c:21]([CH3:24])[c:22]1[Cl: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.[OH2:47]>>[c:2]1([N:31]2[CH2:30][CH:29]([O:34][CH2:35][CH:36]=[CH2:37])[CH:28]([NH:27][C:25]([c:19]3[c:18]([Cl:17])[c:22]([Cl:23])[c:21]([CH3:24])[nH:20]3)=[O:26])[CH2:33][CH2:32]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 722744553,4-dichloro-5-methyl-N-(3-prop-2-enoxypiperidin-4-yl)-1H-pyrrole-2-carboxamide

Product 1

HCID 75180940methyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-prop-2-enoxypiperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylate

Sources & evidence

ORD record
ord-77125a9b49024c22a0f904666f74a4a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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