Benzene → HCID 67000056, compound

HRID 692996Notes

Reaction equation

HRID 692996 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]2[cH:9][cH:10][c:11]([Br:23])[cH:12][c:13]2[c:14]1[CH2:15][CH2:16][CH2:17][C:18](=[O:19])[N:20]=[N+:21]=[N-:22].[CH3:24][c:25]1[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[Na+:48].[OH2:35].[OH:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]2[cH:9][cH:10][c:11]([Br:23])[cH:12][c:13]2[c:14]1[CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 244Benzyl AlcoholHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 58172051HCID 58172051, compound

Product 1

HCID 67000056HCID 67000056, compound

Sources & evidence

ORD record
ord-f102999f4c344eb09d9f6f4ba36b2bb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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