HRID1542073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID19820357

未命名化合物

结构：CC(=O)N1C=C(c2ccccc2)N(CC(=O)O)C(=O)C1C(C)C

HCID22284314

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(O)c2nccs2)C(=O)C1C(C)C

HCID22284537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dd7dfe7f44243e2b1f0fa32d18be10f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:8]([CH3:9])(=[O:10])[N:11]1[CH:12]([CH:28]([CH3:29])[CH3:30])[C:13](=[O:27])[N:14]([CH2:23][C:24](=[O:25])[OH:26])[C:15]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[CH:16]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:61][S:62](=[O:63])[CH3:64].[Cl:31][C:32]([O:33][CH2:34][CH:35]([CH3:36])[CH3:37])=[O:38].[ClH:39].[NH2:40][CH:41]([CH:42]([OH:43])[c:44]1[s:45][cH:46][cH:47][n:48]1)[CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:65]>>[C:8]([CH3:9])(=[O:10])[N:11]1[CH:12]([CH:28]([CH3:29])[CH3:30])[C:13](=[O:27])[N:14]([CH2:23][C:24](=[O:25])[NH:40][CH:41]([CH:42]([OH:43])[c:44]2[s:45][cH:46][cH:47][n:48]2)[CH2:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[C:15]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[CH:16]1