Hydroxyphenylacetic acid → HCID 54921034, compound

HRID 1220818Notes

Reaction equation

HRID 1220818 reaction equation
[CH2:44]([CH3:45])[O:46][C:47]([CH2:48][NH2:49])=[O:50].[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:42].[ClH:43].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56].[OH:10][c:11]1[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:19])[OH:20])[cH:15][cH:16]1.[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[OH:10][c:11]1[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:20])[NH:49][CH2:48][C:47]([O:46][CH2:44][CH3:45])=[O:50])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 127Hydroxyphenylacetic acidHCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 12176Glycine ethyl esterHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine

Product 1

HCID 54921034HCID 54921034, compound

Sources & evidence

ORD record
ord-37f203c5b62c4e788ba5db726073765c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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