Benzene → HCID 178475311, compound

HRID 688613Notes

Reaction equation

HRID 688613 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][C:18]([OH:19])=[O:20])[CH3:21])[C:22]4([CH3:30])[CH2:23][CH2:24][CH:25]3[C:26]2([CH3:29])[CH2:27][CH2:28]1.[S:31]([Cl:32])([Cl:33])=[O:34].[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][CH2:18][Cl:33])[CH3:21])[C:22]4([CH3:30])[CH2:23][CH2:24][CH:25]3[C:26]2([CH3:29])[CH2:27][CH2:28]1

Participants

4

Reactant 3

HCID 241BenzeneHCID 24386Thionyl ChlorideHCID 3130583-(Acetyloxy)chol-5-en-24-oic acid

Product 1

HCID 178475311HCID 178475311, compound

Sources & evidence

ORD record
ord-de0bf0536fc94957bac650ab210bb1f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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