HRID1122780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID200382

Phenethylamine, 4-(benzyloxy)-3-methoxy-

C16H19NO2

HCID16228609

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(C(=O)NCCc1ccc(OCc2ccccc2)c(OC)c1)C(C)C

HCID20678697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3179a10d2c5d4ffcbda697c0e2c72941
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

[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[NH:6][CH:7]([C:8](=[O:9])[OH:10])[CH:11]([CH3:12])[CH3:13].[CH2:21]([O:22][C:23]([Cl:24])=[O:25])[CH:26]([CH3:27])[CH3:28].[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][c:37]1[c:38]([O:46][CH3:47])[cH:39][c:40]([CH2:43][CH2:44][NH2:45])[cH:41][cH:42]1.[CH3:14][N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1.[ClH:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[NH:6][CH:7]([C:8](=[O:10])[NH:45][CH2:44][CH2:43][c:40]1[cH:39][c:38]([O:46][CH3:47])[c:37]([O:36][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:42][cH:41]1)[CH:11]([CH3:12])[CH3:13]