HRID679939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID21521

2-Bromoethyl ether

C4H8Br2O

结构：NCc1ccc(-c2c[nH]nc2-c2c[nH]c(C(=O)NC(CO)c3ccc(F)c(Cl)c3)c2)cc1Cl

HCID178509601

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(CO)c1ccc(F)c(Cl)c1)c1cc(-c2n[nH]cc2-c2ccc(CN3CCOCC3)c(Cl)c2)c[nH]1

HCID178523442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f65556c03b34dfc920d6755192ee1b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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