HRID123396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31344

2,2-Dimethylpropane-1,3-diol

C5H12O2

HCID596970

4-Amino-3-nitrobenzophenone

C13H10N2O3

PRODUCTS

生成物

结构：CC1(C)COC(c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)OC1

HCID21427096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8307047b8c0e4238a9bd63d86872dd50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:37]([OH:38])[CH2:39][CH2:40][CH3:41].[CH3:19][C:20]([CH2:21][OH:22])([CH2:23][OH:24])[CH3:25].[CH3:26][c:27]1[cH:28][cH:29][c:30]([S:31](=[O:32])(=[O:33])[OH:34])[cH:35][cH:36]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[NH2:1][c:2]1[c:3]([N+:16](=[O:17])[O-:18])[cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1>>[NH2:1][c:2]1[c:3]([N+:16](=[O:17])[O-:18])[cH:4][c:5]([C:8]2([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[O:9][CH2:23][C:20]([CH3:19])([CH3:25])[CH2:21][O:22]2)[cH:6][cH:7]1