Water → [2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cycloheptyl-acetic acid ethyl ester

HRID 678135Notes

Reaction equation

HRID 678135 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH2:25]([CH3:26])[O:27][C:28]([CH:29]([CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1)[Br:37])=[O:38].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH:40]([N:41]([CH3:42])[CH3:43])=[O:44].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([nH:12]2)[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]3)[cH:6][cH:7]1.[Cs+:23].[Cs+:24].[OH2:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:29]([C:28]([O:27][CH2:25][CH3:26])=[O:38])[CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 609805362-(4-Chloro-phenyl)-5,6-difluoro-1H-benzoimidazoleHCID 86639900Bromo-cycloheptyl-acetic acid ethyl ester

Product 1

HCID 66619224[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cycloheptyl-acetic acid ethyl ester

Sources & evidence

ORD record
ord-15417f7174404eb5aa9adad7d3f6d530
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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