HRID1540061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13831

Tributylphosphine

C12H27P

HCID72857

4-Bromo-m-cresol

C7H7BrO

HCID45790389

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2c(C(C)C)nnn2-c2c(Cl)cccc2Cl)ccc1Br

HCID66704069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed17a64f74eb41efb8593069e022b33f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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