HRID2333332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID1257622

(1,3-dimethyl-1H-pyrazol-4-yl)methanamine

C6H11N3

反应SMILES：CC(C)(C)CC1CN(C(=O)Cl)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76776161

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nn(C)cc1CNC(=O)N1CC(CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F

HCID76021614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-18773de84506498897ae88926b3df35a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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