HRID1239665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID67338

1,2-Ethanediamine, N,N,N'-trimethyl-

C5H14N2

结构：CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)O)c1)CC2

HCID18005107

未命名化合物

PRODUCTS

生成物

结构：CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)N(C)CCN(C)C)c1)CC2

HCID54137663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c9f65fead834626af92a7044adf79d2
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

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