HRID117439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID204463

Benzenemethanamine, N-cyclohexyl-

C13H19N

结构：CCOC(=O)c1cccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)CC2)c1

HCID22180476

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(N2CCN(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)CC2)c1)N(Cc1ccccc1)C1CCCCC1

HCID22180166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fef152e07ce4591bdb490efcd93b623
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

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