HRID173731

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

结构：CC(C)(C)OC(=O)CC(C(=O)O)c1cccc2cnccc12

HCID22337571

未命名化合物

PRODUCTS

生成物

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

HCID22032681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dd02e77192e46f9a89d47aabd5e2ece
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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