Hydrochloric Acid → HCID 136354631, compound

HRID 1113040Notes

Reaction equation

HRID 1113040 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:8][cH:9][cH:10]1.[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[Br:29].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:37][S:38]([CH3:39])=[O:40].[ClH:21].[K+:17].[OH-:16].[OH2:30].[S:18]=[C:19]=[S:20]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:8][c:9]([C:19]([O:16][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[S:20])[cH:10]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 6348Carbon DisulfideHCID 7498Benzyl BromideHCID 8058HexaneHCID 314052,6-Di-tert-butylphenol

Product 1

HCID 136354631HCID 136354631, compound

Sources & evidence

ORD record
ord-d1acae7e4596464cb5b2b4b37430cfbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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