HRID317076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O

HCID4293568

未命名化合物

HCID178503772

未命名化合物

PRODUCTS

产物

反应SMILES：CSCCC(NC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCCCc1ccccc1

HCID178503758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8316627ad79345d5ae174db6b5217b5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[NH:22][CH:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:29][cH:30]1)[C:36](=[O:37])[OH:38].[C:8]([Cl:9])(=[O:10])[C:11]([CH3:12])([CH3:13])[CH3:14].[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[c:39]1([CH2:45][CH2:46][CH2:47][NH:48][C:49]([CH:50]([NH2:51])[CH2:52][CH2:53][S:54][CH3:55])=[O:56])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[NH:22][CH:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:29][cH:30]1)[C:36](=[O:38])[NH:51][CH:50]([C:49]([NH:48][CH2:47][CH2:46][CH2:45][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:56])[CH2:52][CH2:53][S:54][CH3:55]