Chloroacetic Acid → HCID 67012857, compound

HRID 319556Notes

Reaction equation

HRID 319556 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([C:22](=[O:23])[OH:24])[cH:21]4)[n:10][o:11]2)[s:6]1.[Cl:37][CH2:38][C:39](=[O:40])[OH:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([C:22]([O:23][CH2:38][C:39](=[O:40])[OH:41])=[O:24])[cH:21]4)[n:10][o:11]2)[s:6]1

Participants

3

Reactant 2

HCID 300Chloroacetic AcidHCID 114325141-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-5-carboxylic acid

Product 1

HCID 67012857HCID 67012857, compound

Sources & evidence

ORD record
ord-d68b607de8bb4982825df57a4900b208
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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