HRID292008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID46870035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92eb9462fc54466595a17cf04dad7dd7
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

[CH3:30][N:31]([CH2:32][CH2:33][NH2:34])[CH3:35].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:45][CH2:46][Cl:47].[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].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[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:34][CH2:33][CH2:32][N:31]([CH3:30])[CH3:35])[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]