HRID136019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID7019419

(1-methyl-1H-pyrazol-3-yl)methanamine

C5H9N3

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

HCID76776161

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(CNC(=O)N2CC(CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)n1

HCID76021613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-199f94224aaf47b49386b72f2f966cd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:32][n:33]1[n:34][c:35]([CH2:38][NH2:39])[cH:36][cH:37]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[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:35]2[n:34][n:33]([CH3:32])[cH:37][cH:36]2)[CH2:14][CH:15]1[CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20]