Hydroxide → 4-(3-Chloro-phenyl)-2-[6-(4-methyl-piperazin-1-ylmethyl)-benzoimidazol-1-yl]-thiazole-5-carboxylic acid

HRID 166571

Reaction equation

HRID 166571 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](-[c:28]2[cH:29][c:30]([Cl:34])[cH:31][cH:32][cH:33]2)[n:8][c:9](-[n:11]2[cH:12][n:13][c:14]3[c:15]2[cH:16][c:17]([CH2:20][N:21]2[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]2)[cH:18][cH:19]3)[s:10]1.[Li+:35].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:36].[OH2:42]>>[O:3]=[C:4]([OH:5])[c:6]1[c:7](-[c:28]2[cH:29][c:30]([Cl:34])[cH:31][cH:32][cH:33]2)[n:8][c:9](-[n:11]2[cH:12][n:13][c:14]3[c:15]2[cH:16][c:17]([CH2:20][N:21]2[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]2)[cH:18][cH:19]3)[s:10]1

Participants

6

Reactant 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 674431674-(3-Chloro-phenyl)-2-[6-(4-methyl-piperazin-1-ylmethyl)-benzoimidazol-1-yl]-thiazole-5-carboxylic acid ethyl ester

Product 1

HCID 674355414-(3-Chloro-phenyl)-2-[6-(4-methyl-piperazin-1-ylmethyl)-benzoimidazol-1-yl]-thiazole-5-carboxylic acid

Sources & evidence

ORD record
ord-60c4b39f91c648debe478391de5e40bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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