HRID2137791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6341

Ethanamine

C2H7N

HCID6344

Dichloromethane

CH2Cl2

HCID160435

Methanediimine

CH2N2

结构：O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)O)CCCC2

HCID59520483

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)sc2c1CCCC2

HCID52947458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0f4f8db22bb40a19f07509027dd0058
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

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