HRID311885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID2735450

2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid

C9H8O4

HCID66727486

未命名化合物

PRODUCTS

生成物

结构：O=C(C1COc2ccccc2O1)N1CCCC(c2ccc3c(c2)OCO3)C1

HCID66727259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8b85954ce1e4c509dddebde1cdf4d71
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

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