Water → HCID 12832515, compound

HRID 145487Notes

Reaction equation

HRID 145487 reaction equation
[O:1]=[C:2]1[c:3]2[c:4]([cH:13][c:14]([CH:17]([C:18](=[O:19])[OH:20])[CH3:21])[cH:15][cH:16]2)[S:5][CH2:6][CH:7]2[CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12]2.[OH2:31].[OH:27][CH2:28][CH:29]=[CH2:30].[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[O:1]=[C:2]1[c:3]2[c:4]([cH:13][c:14]([CH:17]([C:18](=[O:19])[O:20][CH2:30][CH:29]=[CH2:28])[CH3:21])[cH:15][cH:16]2)[S:5][CH2:6][CH:7]2[CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12]2

Participants

5

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 7858Allyl AlcoholHCID 30670672-(11-Oxo-6,6a,7,8,9,10,10a,11-octahydrodibenzo[b,e]thiepin-3-yl)propanoic acid

Product 1

HCID 12832515HCID 12832515, compound

Sources & evidence

ORD record
ord-959fdcc35bef40549ad7b255112bf411
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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