HRID147247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID69861

4-tert-Butylaniline

C10H15N

结构：CC(=O)c1cccc(C(C)=Nc2c(C)cc(C)cc2C)n1

HCID22134468

未命名化合物

PRODUCTS

生成物

结构：CC(=Nc1ccc(C(C)(C)C)cc1)c1cccc(C(C)=Nc2c(C)cc(C)cc2C)n1

HCID21300047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0372724b0b704c29949d8d1b1ddc6390
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][c:29]([NH2:30])[cH:31][cH:32]1.[CH3:1][c:2]1[c:3]([N:10]=[C:11]([CH3:12])[c:13]2[n:14][c:15]([C:19]([CH3:20])=[O:21])[cH:16][cH:17][cH:18]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[CH3:1][c:2]1[c:3]([N:10]=[C:11]([CH3:12])[c:13]2[n:14][c:15]([C:19]([CH3:20])=[N:30][c:29]3[cH:28][cH:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:32][cH:31]3)[cH:16][cH:17][cH:18]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1