HRID683632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67430

4-Chlorophenethylamine

C8H10ClN

HCID76688

Cyclohexanemethylamine

C7H15N

结构：O=C(O)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21

HCID59352308

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1ccc(Cl)cc1)c1ccccc1CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21

HCID59352756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4cffe41eb5b4727b1e8f11f26c57e98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH:11]1([CH2:12][NH2:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][NH2:10])[cH:6][cH:7]1.[O:19]=[C:20]1[N:21]([CH2:40][c:41]2[c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47][cH:48][cH:49]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[C:28]12[c:29]1[c:30]([cH:33][c:34]3[c:38]([cH:39]1)[CH2:37][CH2:36][O:35]3)[O:31][CH2:32]2>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][NH:10][C:43]([c:42]2[c:41]([CH2:40][N:21]3[C:20](=[O:19])[C:28]4([c:27]5[c:22]3[cH:23][cH:24][cH:25][cH:26]5)[c:29]3[c:30]([cH:33][c:34]5[c:38]([cH:39]3)[CH2:37][CH2:36][O:35]5)[O:31][CH2:32]4)[cH:49][cH:48][cH:47][cH:46]2)=[O:44])[cH:6][cH:7]1