Hydrochloric Acid → HCID 44198099, compound

HRID 1551638Notes

Reaction equation

HRID 1551638 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:20]2[c:21](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[n:22][c:23]3[c:24]2[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]3)=[O:38])[cH:9][cH:10]1)=[O:39].[ClH:43].[Li+:42].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH-:41].[OH2:40].[OH2:50]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:20]2[c:21](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[n:22][c:23]3[c:24]2[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]3)=[O:38])[cH:9][cH:10]1)[OH:39]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2×HCID 28486Lithium ionHCID 312751,4-DioxaneHCID 686454934-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-benzoic acid ethyl ester

Product 1

HCID 44198099HCID 44198099, compound

Sources & evidence

ORD record
ord-d4455a4dfe834abd9fbb2f9e4e5cea92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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