HRID677786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID419223

4-Aminotetrahydropyran

C5H11NO

HCID44546735

4-(7,7-difluoro-9-isopropyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

C19H21F2N5O4

PRODUCTS

产物

HCID44546892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01896c071ea2410aa548f8364ab8e13b
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

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