Benzene → HCID 135839319, compound

HRID 1567700Notes

Reaction equation

HRID 1567700 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:34][CH3:35])[cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19](-[c:24]4[cH:25][c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]5[cH:32][cH:33]4)[n:20][nH:21][c:22]3[cH:23]2)[cH:13][cH:14]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:48][OH:49].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[OH:8][c:9]1[c:10]([O:34][CH3:35])[cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19](-[c:24]4[cH:25][c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]5[cH:32][cH:33]4)[n:20][nH:21][c:22]3[cH:23]2)[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 887MethanolHCID 8857Ethyl AcetateHCID 21877256HCID 21877256, compound

Product 1

HCID 135839319HCID 135839319, compound

Sources & evidence

ORD record
ord-115e0e97efa449beb236cd79f61f97e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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