Water → HCID 53394065, compound

HRID 2161687Notes

Reaction equation

HRID 2161687 reaction equation
[CH2:1]1[CH:2]([CH:10]([CH:11]=[CH:12][CH:13]2[CH:14]([CH2:26][CH:27]=[CH:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37])[CH:15]([O:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24][O:25]3)[CH2:16][CH:17]2[F:18])[OH:38])[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[CH:51]([OH:52])([CH3:53])[CH3:54].[OH2:50].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[CH2:1]1[CH:2]([CH:10]([CH:11]=[CH:12][CH:13]2[CH:14]([CH2:26][CH:27]=[CH:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH:35]([CH3:36])[CH3:37])[CH:15]([OH:19])[CH2:16][CH:17]2[F:18])[OH:38])[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21

Participants

5

Reactant 4

HCID 962WaterHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 178459534HCID 178459534, compound

Product 1

HCID 53394065HCID 53394065, compound

Sources & evidence

ORD record
ord-1be71b8adaec4064a98274b6a9f630f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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