Benzene → HCID 12895863, compound

HRID 283003Notes

Reaction equation

HRID 283003 reaction equation
[CH3:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[CH3:39][OH:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:22]1)[CH2:7][C:8](=[O:21])[c:9]1[c:10]([cH:12][cH:13][c:14]([CH:16]([C:17](=[O:18])[NH2:19])[CH3:20])[cH:15]1)[S:11]2.[ClH:25].[Na+:24].[OH-:23].[OH2:38].[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:22]1)[CH2:7][C:8](=[O:21])[c:9]1[c:10]([cH:12][cH:13][c:14]([CH:16]([C:17](=[O:18])[OH:23])[CH3:20])[cH:15]1)[S:11]2

Participants

9

Reactant 8

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8058HexaneHCID 12895862HCID 12895862, compound

Product 1

HCID 12895863HCID 12895863, compound

Sources & evidence

ORD record
ord-856a536f33204ad7b91d631b8e3fd743
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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