HRID1127484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID2735655

4-tert-Butylbenzylamine

C11H17N

HCID12018708

未命名化合物

HCID22337697

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1ccc(CNC(=O)C(O)c2cccc3cnccc23)cc1

HCID11291000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b4ea38afce70431d8313435e94949c13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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][OH:43].[CH3:44][S:45]([CH3:46])=[O:47].[OH:13][CH:14]([C:15](=[O:16])[OH:17])[c:18]1[c:19]2[cH:20][cH:21][n:22][cH:23][c:24]2[cH:25][cH:26][cH:27]1.[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:15]([CH:14]([OH:13])[c:18]2[c:19]3[cH:20][cH:21][n:22][cH:23][c:24]3[cH:25][cH:26][cH:27]2)=[O:16])[cH:11][cH:12]1