HRID827194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID10564699

7-(4-Methylphenyl)-2,3-dihydrobenzooxepine-4-carboxylic acid

C18H16O3

HCID11788863

未命名化合物

PRODUCTS

产物

HCID18472532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-45da94db9c144f6aad4ac6107ff85945
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:47](=[O:48])([OH:49])[O-:50].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:21]2)[CH:13]=[C:14]([C:18](=[O:19])[OH:20])[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1.[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[NH2:22][c:23]1[cH:24][cH:25][c:26]([CH2:29][NH:30][c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:27][cH:28]1.[Na+:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[P:37]([C:38]#[N:39])([O:40][CH2:41][CH3:42])([O:43][CH2:44][CH3:45])=[O:46]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:21]2)[CH:13]=[C:14]([C:18](=[O:19])[NH:22][c:23]2[cH:24][cH:25][c:26]([CH2:29][NH:30][c:31]4[n:32][cH:33][cH:34][cH:35][cH:36]4)[cH:27][cH:28]2)[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1