HRID309928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID31275

1,4-Dioxane

C4H8O2

结构：OCc1ccc(-c2cc3c(Nc4ccc5c(c4)OCO5)ncnc3[nH]2)cc1

HCID69180666

未命名化合物

PRODUCTS

生成物

结构：ClCc1ccc(-c2cc3c(Nc4ccc5c(c4)OCO5)ncnc3[nH]2)cc1

HCID69179724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-968a0099883c425ca3f5ca171a82164c
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

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