Benzene → HCID 20395012, compound

HRID 294436Notes

Reaction equation

HRID 294436 reaction equation
[CH2:1]([S-:2])[CH3:3].[CH3:10][O:11][c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[c:18]2[cH:19][c:20]([C:29]([CH3:30])([CH3:31])[CH3:32])[c:21]([OH:28])[c:22]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:23]2)[cH:33][cH:34]1.[CH3:5][N:6]([CH3:7])[CH:8]=[O:9].[ClH:35].[Na+:4].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[OH:11][c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[c:18]2[cH:19][c:20]([C:29]([CH3:30])([CH3:31])[CH3:32])[c:21]([OH:28])[c:22]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:23]2)[cH:33][cH:34]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 12688643ThioethoxideHCID 12809331HCID 12809331, compound

Product 1

HCID 20395012HCID 20395012, compound

Sources & evidence

ORD record
ord-f2bb567a8e2547fea4ac05a0c4a2ead2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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