Benzene → HCID 178471018, compound

HRID 100646Notes

Reaction equation

HRID 100646 reaction equation
[Br:31][c:32]1[cH:33][cH:34][c:35]([C:38](=[CH:39][CH2:40][OH:41])[CH3:42])[cH:36][cH:37]1.[CH2:14]([CH3:15])[O:16][CH:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:23][c:24]1[cH:25][cH:26][c:27]([OH:30])[cH:28][cH:29]1.[CH2:1]([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[OH2:49].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:14]([CH3:15])[O:16][CH:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:23][c:24]1[cH:25][cH:26][c:27]([O:30][CH2:40][CH:39]=[C:38]([c:35]2[cH:34][cH:33][c:32]([Br:31])[cH:37][cH:36]2)[CH3:42])[cH:28][cH:29]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 962WaterHCID 8857Ethyl AcetateHCID 13831TributylphosphineHCID 11791243Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoateHCID 69754659(2e)-3-(4-Bromophenyl)-2-buten-1-ol

Product 1

HCID 178471018HCID 178471018, compound

Sources & evidence

ORD record
ord-26a03cedf8b54b0aaf133c6a714d5173
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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