Water → HCID 21077916, compound

HRID 114950Notes

Reaction equation

HRID 114950 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][C:8]1([c:13]2[cH:14][cH:15][c:16]([N:19]([CH3:20])[C:21]([CH2:22][c:23]3[cH:24][c:25]([O:40][CH3:41])[c:26]([NH:29][C:30](=[O:31])[NH:32][c:33]4[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]4)[cH:27][cH:28]3)=[O:42])[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1)=[O:43].[CH3:55][CH2:56][CH2:57][CH2:58][CH3:59].[Cl:51][CH2:52][Cl:53].[OH2:54].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[O:5]=[C:6]([CH2:7][C:8]1([c:13]2[cH:14][cH:15][c:16]([N:19]([CH3:20])[C:21]([CH2:22][c:23]3[cH:24][c:25]([O:40][CH3:41])[c:26]([NH:29][C:30](=[O:31])[NH:32][c:33]4[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]4)[cH:27][cH:28]3)=[O:42])[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1)[OH:43]

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8003PentaneHCID 69420098[1-{4-[{2-[3-Methoxy-4-[3-o-tolyl-ureido]-phenyl]-acetyl}-methyl-amino]-phenyl}-cyclopentyl]-acetic acid tert-butyl ester

Product 1

HCID 21077916HCID 21077916, compound

Sources & evidence

ORD record
ord-c364b57bea57495f9a2a47ae5445123b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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