HRID208715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID2735655

4-tert-Butylbenzylamine

C11H17N

HCID12018708

未命名化合物

HCID22337638

α-Methyl-5-isoquinolineacetic acid

C12H11NO2

PRODUCTS

生成物

结构：CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1cccc2cnccc12

HCID10247056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42bcfc35b64342c5b6da7319a541725e
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH2:10])[cH:11][cH:12]1.[CH3:42][S:43]([CH3:44])=[O:45].[cH:13]1[n:14][cH:15][cH:16][c:17]2[c:18]([CH:23]([C:24](=[O:25])[OH:26])[CH3:27])[cH:19][cH:20][cH:21][c:22]12.[cH:28]1[c:29]2[c:30]([c:31]([CH2:32][C:33]([OH:34])=[O:35])[cH:36][cH:37][cH:38]2)[cH:39][cH:40][n:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][C:24]([CH:23]([c:18]2[c:17]3[cH:16][cH:15][n:14][cH:13][c:22]3[cH:21][cH:20][cH:19]2)[CH3:27])=[O:25])[cH:11][cH:12]1