HRID2151698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID247332

2-Chloro-alpha-(4-chlorophenyl)benzenemethanol

C13H10Cl2O

HCID330448

1-(Diphenylmethyl)azetidin-3-ol

C16H17NO

PRODUCTS

生成物

结构：Clc1ccc(C(OC2CN(C(c3ccccc3)c3ccccc3)C2)c2ccccc2Cl)cc1

HCID68902439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-effae0c829b1409385d3231d959daee6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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