Methanol → 2-(3-Cyano-4-(5-(2,4-dichlorophenethylcarbamoyl)-1H-indol-1yl)phenyl)acetic Acid

HRID 292492Notes

Reaction equation

HRID 292492 reaction equation
[CH3:39][OH:40].[Cl:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]3[cH:12][cH:13][n:14](-[c:18]4[c:19]([C:29]#[N:30])[cH:20][c:21]([CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:22][cH:23]4)[c:15]3[cH:16][cH:17]2)[cH:31][cH:32][c:33]([Cl:35])[cH:34]1.[Cl:41][CH2:42][Cl:43].[Na+:37].[OH-:36].[OH2:38]>>[Cl:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]3[cH:12][cH:13][n:14](-[c:18]4[c:19]([C:29]#[N:30])[cH:20][c:21]([CH2:24][C:25](=[O:26])[OH:27])[cH:22][cH:23]4)[c:15]3[cH:16][cH:17]2)[cH:31][cH:32][c:33]([Cl:35])[cH:34]1

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 68508412methyl 2-(4-(5-((2,4-dichlorophenethyl)carbamoyl)-1H-indol-1-yl)-3-cyanophenyl)acetate

Product 1

HCID 595499312-(3-Cyano-4-(5-(2,4-dichlorophenethylcarbamoyl)-1H-indol-1yl)phenyl)acetic Acid

Sources & evidence

ORD record
ord-f851c0ecf2ee45c785fd0d9a17292e0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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