HRID152125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10328

Indoline

C8H9N

HCID85570

Tosylate

C7H7O3S-

结构：CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(OS(=O)(=O)C(F)(F)F)c2C1

HCID59333760

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N3CCc4ccccc43)c2C1

HCID46199900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa09882250f04878b6366b29cdff27f9
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

[CH2:1]1[CH2:2][c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[NH:9]1.[F:10][C:11]([F:12])([F:13])[S:14]([O:15][c:16]1[c:17]2[c:18]([n:19][c:20]([NH:22][c:23]3[cH:24][cH:25][c:26](-[c:29]4[cH:30][n:31][cH:32][o:33]4)[cH:27][cH:28]3)[n:21]1)[CH2:34][CH2:35][N:36]([C:38]([CH3:39])=[O:40])[CH2:37]2)(=[O:41])=[O:42].[O-:43][S:44]([c:45]1[cH:46][cH:47][c:48]([CH3:49])[cH:50][cH:51]1)(=[O:52])=[O:53]>>[CH2:1]1[CH2:2][c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[N:9]1[c:16]1[c:17]2[c:18]([n:19][c:20]([NH:22][c:23]3[cH:24][cH:25][c:26](-[c:29]4[cH:30][n:31][cH:32][o:33]4)[cH:27][cH:28]3)[n:21]1)[CH2:34][CH2:35][N:36]([C:38]([CH3:39])=[O:40])[CH2:37]2