HRID101560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6568

2-Butanol

C4H10O

HCID7622

Tributylamine

C12H27N

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

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-4925d90c0ec64e639cd04292da38a7fe
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

[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:34][CH2:35][CH2:36][CH2:37][N:38]([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46].[CH3:50][CH:51]([OH:52])[CH2:53][CH3:54].[H:47][H:48].[OH2:49].[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]