HRID175814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78571

2-(Chloromethyl)-1H-benzimidazole

C8H7ClN2

结构：Cc1ccccc1N1C(=O)NC(=O)C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2

HCID10117741

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1N1C(=O)N(Cc2nc3ccccc3[nH]2)C(=O)C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2

HCID10168161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac6eb569fb0946a6baef2dab84e70171
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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