HRID203701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID268471

未命名化合物

HCID13178866

Benzyl octahydro-1H-indole-2-carboxylate

C16H21NO2

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C(=O)N1C(C(=O)OCc2ccccc2)CC2CCCCC21

HCID73163973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd9ea24cc5ae4f6aa396e61ef95d30ee
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

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