HRID103174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4cccc(F)c4)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430384

未命名化合物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4ccc(F)cc4)nc3)cc2)CCN1

HCID178430385

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4cccc(F)c4)nc3)cc2)CCN1

HCID178430383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-024b79e3942148829c52f78c0b78e4be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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