HRID941543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68024

4-Fluoro-N-methylaniline

C7H8FN

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430378

未命名化合物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4ccc(F)cc4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430386

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(N(C)c4ccc(F)cc4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17599f0f89f544d2988c90870dc443d1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:33][NH:34][c:35]1[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:6][n:7]1.[F:42][c:43]1[cH:44][cH:45][c:46]([NH:47][c:48]2[n:49][cH:50][c:51]([S:52]([NH:53][c:54]3[cH:55][cH:56][c:57]([CH2:58][N:59]4[CH2:60][CH2:61][N:62]([C:63]([O:64][C:65]([CH3:66])([CH3:67])[CH3:68])=[O:69])[CH:70]([CH3:71])[CH2:72]4)[cH:73][cH:74]3)(=[O:75])=[O:76])[cH:77][cH:78]2)[cH:79][cH:80]1>>[c:2]1([N:34]([CH3:33])[c:35]2[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:6][n:7]1