HRID86045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID408285

2-Morpholinoethylamine

C6H14N2O

HCID59252475

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCN1CCOCC1)c1csc(-c2cnc(-c3ccccc3)nc2)n1

HCID59252431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ff57e0fa6e74b08bf35845d3ca52d3f
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

[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[NH2:26][CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[O:21]=[CH:22][N:23]([CH3:24])[CH3:25].[S:44]([Cl:45])([Cl:46])=[O:47].[c:1]1(-[c:7]2[n:8][cH:9][c:10](-[c:13]3[s:14][cH:15][c:16]([C:18](=[O:19])[OH:20])[n:17]3)[cH:11][n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][cH:9][c:10](-[c:13]3[s:14][cH:15][c:16]([C:18](=[O:20])[NH:26][CH2:27][CH2:28][N:29]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[n:17]3)[cH:11][n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1