HRID684869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

反应SMILES：O=C(CBr)Nc1sc2c(c1C(=O)NCCO)CCCC2

HCID59520525

未命名化合物

HCID178441973

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1nn(CC(=O)Nc2sc3c(c2C(=O)NCCO)CCCC3)cc1C=O

HCID59520502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7758a8bd127847119d85015202047867
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[Br:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[c:7]([C:15](=[O:16])[NH:17][CH2:18][CH2:19][OH:20])[c:8]2[c:9]([s:10]1)[CH2:11][CH2:12][CH2:13][CH2:14]2.[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[n:26][nH:27][cH:28][c:29]1[CH:30]=[O:31].[C:32](=[O:33])([O-:34])[O-:35].[K+:36].[K+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[c:7]([C:15](=[O:16])[NH:17][CH2:18][CH2:19][OH:20])[c:8]2[c:9]([s:10]1)[CH2:11][CH2:12][CH2:13][CH2:14]2)[n:27]1[n:26][c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[c:29]([CH:30]=[O:31])[cH:28]1