HRID307888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID2774545

4-Fluoro-2-methoxybenzoic acid

C8H7FO3

HCID68527245

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)ccc1C(=O)NC(C)c1nc(-c2ccncn2)cc(=O)n1C

HCID25116210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fff11840cb3648aa80dcd8c395b55109
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

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