HRID93524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID24386

Thionyl chloride

Cl2OS

结构：CCCn1c(=O)c2c(nc(C=Cc3cc(OC)c(OC)cc3S(=O)(=O)O)n2C)n(CCC)c1=O

HCID54295461

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(=O)c2c(nc(C=Cc3cc(OC)c(OC)cc3S(=O)(=O)N(CC)CC)n2C)n(CCC)c1=O

HCID53682855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e78c4efc951749f3b13aabc95f29ea68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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