Water → HCID 178465871, compound

HRID 161649Notes

Reaction equation

HRID 161649 reaction equation
[C:34]([OH:35])([CH3:36])([CH3:37])[CH3:38].[I:1][CH2:2][C:3](=[O:4])[O:5][CH:6]1[CH:7]2[C:8]3([CH3:32])[CH2:9][CH2:10][CH:11]([O:27][S:28]([CH3:29])(=[O:30])=[O:31])[CH2:12][CH:13]3[CH2:14][CH2:15][CH:16]2[CH:17]2[CH2:18][CH2:19][CH:20]([C:21]([CH3:22])=[O:23])[C:24]2([CH3:26])[CH2:25]1.[OH2:33]>>[I:1][CH2:2][C:3](=[O:4])[O:5][CH:6]1[CH:7]2[C:8]3([CH3:32])[CH2:9][CH:10]=[CH:11][CH2:12][CH:13]3[CH2:14][CH2:15][CH:16]2[CH:17]2[CH2:18][CH2:19][CH:20]([C:21]([CH3:22])=[O:23])[C:24]2([CH3:26])[CH2:25]1

Participants

4

Reactant 3

HCID 962WaterHCID 6386tert-ButanolHCID 178465920HCID 178465920, compound

Product 1

HCID 178465871HCID 178465871, compound

Sources & evidence

ORD record
ord-c58378d0dabf48e983bad5fa9d597b59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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