Water → methyl 3-[[4-[[4-cyclohexyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoate

HRID 2144952Notes

Reaction equation

HRID 2144952 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[cH:10][cH:11][c:12]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1.[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH3:52][O:53][C:54]([CH:55]([CH2:56][NH2:57])[OH:58])=[O:59].[CH:65]([N:66]([CH:67]([CH3:68])[CH3:69])[CH2:70][CH3:71])([CH3:72])[CH3:73].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:74].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[cH:10][cH:11][c:12]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:57][CH2:56][CH:55]([C:54]([O:53][CH3:52])=[O:59])[OH:58])[cH:29][cH:30]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 11105589Methyl 3-amino-2-hydroxypropanoateHCID 223111164-{[tert-Butoxycarbonyl-(4-cyclohexylphenyl)amino]methyl}benzoic acid

Product 1

HCID 69733521methyl 3-[[4-[[4-cyclohexyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoate

Sources & evidence

ORD record
ord-351e60fd290842e0855352e45f4f5af8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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