Sodium ion → 6-[7a-(4-Cyano-benzyl)-3-(3,5-Dichlorophenyl)-2-oxo-2,3,5,6,7,7a-hexahydro-benzimidazol-3a-yl]-hexanoic acid ethyl ester

HRID 97201

Reaction equation

HRID 97201 reaction equation
[C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])(=[O:36])[O:37][CH2:38][CH3:39].[Cl:1][c:2]1[cH:3][c:4]([N:9]2[C:10](=[O:27])[NH:11][C:12]3([CH2:18][c:19]4[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]4)[C:13]2=[CH:14][CH2:15][CH2:16][CH2:17]3)[cH:5][c:6]([Cl:8])[cH:7]1.[H-:29].[Na+:28].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[Cl:1][c:2]1[cH:3][c:4]([N:9]2[C:10](=[O:27])[NH:11][C:12]3([CH2:18][c:19]4[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]4)[C:13]2([CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][C:30](=[O:36])[O:37][CH2:38][CH3:39])[CH2:14][CH2:15][CH2:16][CH2:17]3)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 31265Ethyl hexanoateHCID 166653HydrideHCID 104534514-[1-(3,5-Dichlorophenyl)-2-oxo-1,2,3,4,5,6-hexahydro-benzimidazol-3a-ylmethyl]benzonitrile

Product 1

HCID 697862196-[7a-(4-Cyano-benzyl)-3-(3,5-Dichlorophenyl)-2-oxo-2,3,5,6,7,7a-hexahydro-benzimidazol-3a-yl]-hexanoic acid ethyl ester

Sources & evidence

ORD record
ord-5f58aac02f184a4e85311ce4c79d6cbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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