HRID1566077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID49853478

1-[3-(Methanesulfonyl)propyl]piperazine

C8H18N2O2S

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：CC(C)(C)CC1CN(C(=O)N2CCN(CCCS(C)(=O)=O)CC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID67337303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dd84ea953ac4f4b945bc7040d25eb2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:32][S:33](=[O:34])(=[O:35])[CH2:36][CH2:37][CH2:38][N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[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])[N:42]2[CH2:41][CH2:40][N:39]([CH2:38][CH2:37][CH2:36][S:33]([CH3:32])(=[O:34])=[O:35])[CH2:44][CH2:43]2)[CH2:14][CH:15]1[CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20]