Water → HCID 22105454, compound

HRID 106146Notes

Reaction equation

HRID 106146 reaction equation
[C:24]([OH:25])([CH3:26])([CH3:27])[CH3:28].[C:30]([Cl:31])([Cl:32])([Cl:33])[Cl:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[CH:7]([c:16]1[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]1)[S:8](=[O:14])(=[O:15])[CH2:9][CH2:10][C:11](=[O:13])[NH:12]2.[OH2:29]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[C:7]([c:16]1[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]1)=[CH:9][CH2:10][C:11](=[O:13])[NH:12]2

Participants

5

Reactant 4

HCID 962WaterHCID 5943Carbon TetrachlorideHCID 6386tert-ButanolHCID 20449977HCID 20449977, compound

Product 1

HCID 22105454HCID 22105454, compound

Sources & evidence

ORD record
ord-57cfc7f9326c4a5681bf593d37602def
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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