HRID812860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID7010345

3-Acetoxy-2-methylbenzoyl Chloride

C10H9ClO3

反应SMILES：CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(N)CSc1ccccc1

HCID23557969

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)Oc1cccc(C(=O)NC(CSc2ccccc2)C(O)CN2CC3CCCCC3CC2C(=O)NC(C)(C)C)c1C

HCID73194709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-10040b8c81b24d2b822c11f7ba4b26a2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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