HRID2151781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID11788268

3-(Methylamino)pyrrolidine

C5H12N2

结构：COCCN(C)C(=O)c1nc2c(C#N)c(C)c(-c3ccccc3)c(F)c2o1

HCID68584983

未命名化合物

PRODUCTS

生成物

结构：CNC1CCN(c2c(-c3ccccc3)c(C)c(C#N)c3nc(C(=O)N(C)CCOC)oc23)C1

HCID178482237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b7b91716e1042f68a77601ee9736b99
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:12](#[N:13])[c:14]1[c:15]([CH3:38])[c:16](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:17]([F:31])[c:18]2[c:19]1[n:20][c:21]([C:23](=[O:24])[N:25]([CH3:26])[CH2:27][CH2:28][O:29][CH3:30])[o:22]2.[CH3:1][S:2](=[O:3])[CH3:4].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:5][NH:6][CH:7]1[CH2:8][NH:9][CH2:10][CH2:11]1.[CH:46]([Cl:47])([Cl:48])[Cl:49]>>[CH3:5][NH:6][CH:7]1[CH2:8][N:9]([c:17]2[c:16](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:15]([CH3:38])[c:14]([C:12]#[N:13])[c:19]3[c:18]2[o:22][c:21]([C:23](=[O:24])[N:25]([CH3:26])[CH2:27][CH2:28][O:29][CH3:30])[n:20]3)[CH2:10][CH2:11]1