Water → Water

HRID 1566780Notes

Reaction equation

HRID 1566780 reaction equation
[CH3:45][CH:46]([OH:47])[CH3:48].[CH:1]12[CH:2]3[CH2:3][CH2:4][C:5]4=[CH:35][C:33](=[O:34])[CH:32]=[CH:31][C:7]4([CH3:8])[C:9]3([Cl:10])[CH:11]([OH:12])[CH2:13][C:14]1([CH3:15])[C:16]([O:6][C:21]([c:22]1[o:23][cH:24][cH:25][cH:26]1)=[O:27])([C:17]([CH2:18][Cl:19])=[O:20])[CH:28]([CH3:29])[CH2:30]2.[OH2:44].[o:36]1[c:37]([C:41](=[O:42])[O-:43])[cH:38][cH:39][cH:40]1>>[OH2:6].[o:36]1[c:37]([C:41](=[O:42])[OH:43])[cH:38][cH:39][cH:40]1

Participants

6

Reactant 4

HCID 962WaterHCID 3776IsopropanolHCID 4240[9-Chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylateHCID 5460151Furan-2-carboxylate

Product 2

HCID 962WaterHCID 69192-Furancarboxylic acid

Sources & evidence

ORD record
ord-e57df0b1e7264c6594dcd3854b18f069
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…