HRID2132436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID330448

1-(Diphenylmethyl)azetidin-3-ol

C16H17NO

HCID22565435

未命名化合物

PRODUCTS

生成物

结构：Clc1ccc(C(OC2CN(C(c3ccccc3)c3ccccc3)C2)c2ccc(Cl)cc2Cl)cc1

HCID68903818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-740b9aab54dd47eb8639aaf530efc4ef
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

[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[N:42]1[CH2:43][CH:44]([OH:46])[CH2:45]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][c:15]([Cl:17])[cH:16]1.[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28]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:44]2[CH2:43][N:42]([CH:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH2:45]2)[cH:13][cH:14][c:15]([Cl:17])[cH:16]1