HRID1212874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID59453627

未命名化合物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)Cl)cs2)CC1

HCID86637727

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)C3CCC(O)c4ccccc43)cs2)CC1

HCID178426055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e497b27802d4ccdae9287a4193a14da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:1][NH:2][CH:3]1[CH2:4][CH2:5][CH:6]([OH:13])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21.[CH3:21][c:22]1[cH:23][c:24]([C:44]([F:45])([F:46])[F:47])[n:25][n:26]1[CH2:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][CH:33]([c:36]2[s:37][cH:38][c:39]([C:41](=[O:42])[Cl:43])[n:40]2)[CH2:34][CH2:35]1.[Cl:48][CH2:49][Cl:50]>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][CH:6]([OH:13])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21)[C:41]([c:39]1[cH:38][s:37][c:36]([CH:33]2[CH2:32][CH2:31][N:30]([C:28]([CH2:27][n:26]3[c:22]([CH3:21])[cH:23][c:24]([C:44]([F:45])([F:46])[F:47])[n:25]3)=[O:29])[CH2:35][CH2:34]2)[n:40]1)=[O:42]