HRID295555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID151211

1,1-Ethanediol

C2H6O2

结构：COc1cnc(C(O)Cn2cc[nH]c2=O)cc1OCCCCCc1ccccc1

HCID9887064

未命名化合物

PRODUCTS

生成物

HCID18763369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f87e45e20354e41a48aa7552b1fdfa9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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