Water → Entinostat

HRID 87502Notes

Reaction equation

HRID 87502 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH3:6])[C:7]1=[O:8].[CH3:38][S:39](=[O:40])(=[O:41])[OH:42].[NH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1[NH2:37].[OH2:43].[n:9]1[cH:10][c:11]([CH2:15][O:16][C:17](=[O:18])[NH:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]2)[cH:12][cH:13][cH:14]1>>[n:9]1[cH:10][c:11]([CH2:15][O:16][C:17](=[O:18])[NH:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:27])[NH:37][c:36]3[c:31]([NH2:30])[cH:32][cH:33][cH:34][cH:35]3)[cH:28][cH:29]2)[cH:12][cH:13][cH:14]1

Participants

6

Reactant 5

HCID 962WaterHCID 6395Methanesulfonic AcidHCID 66611,3-Dimethyl-2-imidazolidinoneHCID 7243O-PhenylenediamineHCID 98173384-((((Pyridin-3-ylmethoxy)carbonyl)amino)methyl)benzoic acid

Product 1

HCID 4261Entinostat

Sources & evidence

ORD record
ord-5a75a9f67b6947de96bc51a67247b93c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…