Benzene → HCID 178487084, compound

HRID 294793Notes

Reaction equation

HRID 294793 reaction equation
[CH2:1]1[O:2][CH:3]2[C:4]3([CH3:5])[CH:6]([CH2:7][CH:8]2[O:9][CH2:10]1)[CH:11]1[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:24][CH3:25])[cH:17][cH:18][c:19]2[CH:20]1[CH:21]([OH:23])[CH2:22]3.[CH3:44][S:45]([CH3:46])=[O:47].[CH3:54][OH:55].[OH:32][C:33]([CH:34]([Cl:35])[Cl:36])=[O:37].[OH:38][C:39]([C:40](=[O:41])[OH:42])=[O:43].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH2:1]1[O:2][CH:3]2[C:4]3([CH3:5])[CH:6]([CH2:7][CH:8]2[O:9][CH2:10]1)[CH:11]1[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:24][CH3:25])[cH:17][cH:18][c:19]2[CH:20]1[C:21](=[O:23])[CH2:22]3

Participants

8

Reactant 7

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 971Oxalic AcidHCID 1049PyridineHCID 6597Dichloroacetic AcidHCID 178487085HCID 178487085, compound

Product 1

HCID 178487084HCID 178487084, compound

Sources & evidence

ORD record
ord-62e082b657364e9fac6357b3623dd414
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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