Hydrochloric Acid → 6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-(3-oxo-3-pyrrolidin-1-yl-propyl)-3H-benzoimidazole-5-carboxylic acid

HRID 1132392Notes

Reaction equation

HRID 1132392 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10][n:11]2[CH2:12][CH2:13][C:14]([N:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)=[O:20])[c:21]([F:32])[c:22]1[NH:23][c:24]1[c:25]([Cl:31])[cH:26][c:27]([Br:30])[cH:28][cH:29]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[ClH:35].[Li+:34].[OH-:33].[OH2:41]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10][n:11]2[CH2:12][CH2:13][C:14]([N:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)=[O:20])[c:21]([F:32])[c:22]1[NH:23][c:24]1[c:25]([Cl:31])[cH:26][c:27]([Br:30])[cH:28][cH:29]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 66885285HCID 66885285, compound

Product 1

HCID 211142056-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-(3-oxo-3-pyrrolidin-1-yl-propyl)-3H-benzoimidazole-5-carboxylic acid

Sources & evidence

ORD record
ord-ec08c622b9f441e7af5365378814e906
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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