HRID1553513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6568

2-Butanol

C4H10O

结构：CC(C)(C)c1cc(-n2nc3cc(Cl)ccc3[n+]2[O-])c(O)c(C(C)(C)C)c1

HCID14149471

未命名化合物

HCID22672070

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

HCID77470

Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-

C20H24ClN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c71b79e5054c4211832b9917ba240f34
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

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