HRID1235448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID12874224

(4-Fluoro-3-phenoxyphenyl)methanol

C13H11FO2

结构：CC1(C)C(C=C(Cl)c2ccc(OC(F)(F)F)cc2)C1C(=O)O

HCID54111873

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C=C(Cl)c2ccc(OC(F)(F)F)cc2)C1C(=O)OCc1ccc(F)c(Oc2ccccc2)c1

HCID53700099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bcbd7c2520c4c44af42ea0b3ead028d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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