Benzene → HCID 22767878, compound

HRID 2131561Notes

Reaction equation

HRID 2131561 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[O:7][c:8]1[c:9]([cH:13][c:14]([S:17][CH3:18])[cH:15][cH:16]1)[C:10](=[O:12])[CH2:11]2.[Ca+2:22].[Cl-:20].[Cl-:21].[ClH:23].[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[O:7][c:8]1[c:9]([cH:13][c:14]([S:17][CH3:18])[cH:15][cH:16]1)[CH:10]([Cl:20])[CH2:11]2

Participants

6

Sources & evidence

ORD record
ord-11cb5d6369a24b08bd071d0f9bd74ca9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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