HRID823534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCNC(=O)C(CO)N(C(=O)[O-])C(C)(C)C)c12

HCID178458477

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCNC(=O)C(N)CO)c12

HCID67463739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3952417f872f4a83b3248b58a5c7b38c
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]([O:2][CH2:3][CH3:4])(=[O:5])[CH3:6].[C:8]([N:12]([C:9](=[O:10])[O-:11])[CH:16]([CH2:17][OH:18])[C:19]([NH:20][CH2:21][CH2:22][n:23]1[cH:24][c:25](-[c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[c:26](=[O:38])[c:27]2[c:28]([F:37])[cH:29][cH:30][c:31]([O:33][CH2:34][CH2:35][CH3:36])[c:32]12)=[O:47])([CH3:13])([CH3:14])[CH3:15].[CH3:48][CH2:49][OH:50].[ClH:7]>>[ClH:7].[NH2:12][CH:16]([CH2:17][OH:18])[C:19]([NH:20][CH2:21][CH2:22][n:23]1[cH:24][c:25](-[c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[c:26](=[O:38])[c:27]2[c:28]([F:37])[cH:29][cH:30][c:31]([O:33][CH2:34][CH2:35][CH3:36])[c:32]12)=[O:47]