HRID674802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID242224

Pyrazol-1-yl-methanol

C4H6N2O

结构：CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O

HCID3567903

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)OCn1cccn1

HCID13100685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-211669a59a264669821576d1af5632ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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