HRID203909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8468

Vanillic acid

C8H8O4

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID31275

1,4-Dioxane

C4H8O2

HCID58550727

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1O

HCID58551823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b4703572026400e8a7551c2e87c3fc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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