Benzene → HCID 178471028, compound

HRID 99845Notes

Reaction equation

HRID 99845 reaction equation
[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].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:31][c:32]1[cH:33][cH:34][c:35](-[c:38]2[cH:39][cH:40][c:41]([C:44](=[CH:45][CH2:46][OH:47])[CH3:48])[cH:42][cH:43]2)[cH:36][cH:37]1.[OH2:55].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]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][CH2:46][CH:45]=[C:44]([c:41]2[cH:40][cH:39][c:38](-[c:35]3[cH:34][cH:33][c:32]([Cl:31])[cH:37][cH:36]3)[cH:43][cH:42]2)[CH3:48])[cH:28][cH:29]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 962WaterHCID 8857Ethyl AcetateHCID 13831TributylphosphineHCID 11791243Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoateHCID 698003213-(4'-Chloro-[1,1'-biphenyl]-4-yl)-2-butenol

Product 1

HCID 178471028HCID 178471028, compound

Sources & evidence

ORD record
ord-e8d79e5054ce4e3faf38b145ea350404
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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