Water → 2-(1-(Benzo[d]thiazol-2-ylcarbamoyl)-1,2,3,4-tetrahydroquinolin-7-yl)-5-(4-methoxyphenyl)thiazole-4-carboxylic acid

HRID 2322208Notes

Reaction equation

HRID 2322208 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:24](=[O:25])[OH:26])[n:11][c:12](-[c:14]3[cH:15][cH:16][c:17]4[c:22]([cH:23]3)[NH:21][CH2:20][CH2:19][CH2:18]4)[s:13]2)[cH:7][cH:8]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:55].[s:27]1[c:28]([NH:36][C:37](=[O:38])[n:39]2[cH:40][cH:41][n:42][cH:43]2)[n:29][c:30]2[c:31]1[cH:32][cH:33][cH:34][cH:35]2>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:24](=[O:25])[OH:26])[n:11][c:12](-[c:14]3[cH:15][cH:16][c:17]4[c:22]([cH:23]3)[N:21]([C:37]([NH:36][c:28]3[s:27][c:31]5[c:30]([n:29]3)[cH:35][cH:34][cH:33][cH:32]5)=[O:38])[CH2:20][CH2:19][CH2:18]4)[s:13]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 59418727N-(benzo[d]thiazol-2-yl)-1H-imidazole-1-carboxamideHCID 594187575-(4-Methoxyphenyl)-2-(1,2,3,4-tetrahydroquinolin-7-yl)thiazole-4-carboxylic acid

Product 1

HCID 468407902-(1-(Benzo[d]thiazol-2-ylcarbamoyl)-1,2,3,4-tetrahydroquinolin-7-yl)-5-(4-methoxyphenyl)thiazole-4-carboxylic acid

Sources & evidence

ORD record
ord-d094f23c32d54ad3a060d82492d25607
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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