HRID2123318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

结构：COc1cc(Nc2c(C#N)cnc3c(-c4ccc(C=O)cc4)csc23)c(Cl)cc1Cl

HCID11751397

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2c(C#N)cnc3c(-c4ccc(CN(C)C)cc4)csc23)c(Cl)cc1Cl

HCID11677425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d35c4bf876e430faa5c976aec242905
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:31][NH:32][CH3:33].[CH3:56][C:57](=[O:58])[OH:59].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][c:17]2[C:18]#[N:19])[c:20](-[c:23]2[cH:24][cH:25][c:26]([CH:29]=[O:30])[cH:27][cH:28]2)[cH:21][s:22]3)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1.[Cl:53][CH2:54][Cl:55].[Na+:52].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][c:17]2[C:18]#[N:19])[c:20](-[c:23]2[cH:24][cH:25][c:26]([CH2:29][N:32]([CH3:31])[CH3:33])[cH:27][cH:28]2)[cH:21][s:22]3)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1