HRID2127795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24841

Hydrogen iodide

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3ccccc3)C2)cc(OC)c1OC

HCID18464630

未命名化合物

HCID18464903

2-(1,4-Diazepan-1-yl)-1-[(4-fluorophenyl)methyl]-1H-benzimidazole

C19H21FN4

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCCN(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC

HCID18464624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a208b7f539c4654be50a3e6946705de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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