HRID1219384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID75646

Cyclopropanemethanamine

C4H9N

反应SMILES：CC(C)N(C)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3nncc3CO)c1)=N2

HCID69687839

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)N(C)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3nncc3CNCC3CC3)c1)=N2

HCID69688529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-93655ace413d453f82ba5f86886983ee
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

[Cl-:39].[Cl:45][CH2:46][Cl:47].[NH2:40][CH2:41][CH:42]1[CH2:43][CH2:44]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH:1][CH2:2][c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[c:24]([N:26]([CH3:27])[CH:28]([CH3:29])[CH3:30])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1.[S:35]([Cl:36])([Cl:37])=[O:38]>>[CH2:2]([c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[c:24]([N:26]([CH3:27])[CH:28]([CH3:29])[CH3:30])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1)[NH:40][CH2:41][CH:42]1[CH2:43][CH2:44]1