Water → HCID 178516872, compound

HRID 1141407Notes

Reaction equation

HRID 1141407 reaction equation
[CH2:36]([C:37]([CH3:38])=[O:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]3=[C:23]([O:24][C:25](=[O:26])[CH3:27])[C:22](=[O:28])[c:21]4[c:16]([cH:17][cH:18][cH:19][cH:20]4)[C:15]3=[O:29])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[OH2:35].[S:30](=[O:31])(=[O:32])([OH:33])[OH:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]3=[C:23]([OH:24])[C:22](=[O:28])[c:21]4[c:16]([cH:17][cH:18][cH:19][cH:20]4)[C:15]3=[O:29])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 6569Methyl Ethyl KetoneHCID 19373432HCID 19373432, compound

Product 1

HCID 178516872HCID 178516872, compound

Sources & evidence

ORD record
ord-37e05fded76a461eb6bd6a02cc873288
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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