HRID282420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID2724942

未命名化合物

反应SMILES：O=Cc1cn(CC(=O)Nc2sc3c(c2C(=O)NCCO)CCCC3)nc1C(F)(F)F

HCID59520481

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Cn1cc(CNCC(F)(F)F)c(C(F)(F)F)n1)Nc1sc2c(c1C(=O)NCCO)CCCC2

HCID59520490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-30588ae30e1042698e7e793fbf1d1890
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:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:54][C:55](=[O:56])[OH:57].[CH:1](=[O:2])[c:3]1[c:4]([C:27]([F:28])([F:29])[F:30])[n:5][n:6]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[c:13]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][OH:26])[c:14]3[c:15]([s:16]2)[CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:7]1.[Cl:37][CH2:38][Cl:39].[F:31][C:32]([CH2:33][NH2:34])([F:35])[F:36].[Na+:53]>>[CH2:1]([c:3]1[c:4]([C:27]([F:28])([F:29])[F:30])[n:5][n:6]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[c:13]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][OH:26])[c:14]3[c:15]([s:16]2)[CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:7]1)[NH:34][CH2:33][C:32]([F:31])([F:35])[F:36]