HRID2332928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID996

Phenol

C6H6O

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID197225

Fenridazon

C12H9ClN2O3

PRODUCTS

生成物

结构：Cc1cc(=O)c(C(=O)Oc2ccccc2)nn1-c1ccc(Cl)cc1

HCID9192006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f4089a1b25646afb03f3b410f3e4837
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:16](=[O:17])[OH:18])[c:11](=[O:15])[cH:12][c:13]2[CH3:14])[cH:6][cH:7]1.[Cl:26][C:27]([O:28][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:29].[OH2:56].[OH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:16](=[O:17])[O:18][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:11](=[O:15])[cH:12][c:13]2[CH3:14])[cH:6][cH:7]1