HRID701784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID22760998

Ethyl 4-chloro-2-methoxypyrimidine-5-carboxylate

C8H9ClN2O3

HCID59309639

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(OC)nc1Nc1cc(OCc2c(OC)ccc(F)c2F)c(OC)cc1Cl

HCID68515564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-710005ddae19440d8a4542033c645108
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

[CH3:48][C:49]#[N:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:16][c:17]1[c:18]([NH2:19])[cH:20][c:21]([O:26][CH2:27][c:28]2[c:29]([F:37])[c:30]([F:36])[cH:31][cH:32][c:33]2[O:34][CH3:35])[c:22]([O:24][CH3:25])[cH:23]1.[Cl:1][c:2]1[n:3][c:4]([O:13][CH3:14])[n:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[ClH:15].[OH2:47]>>[c:2]1([NH:19][c:18]2[c:17]([Cl:16])[cH:23][c:22]([O:24][CH3:25])[c:21]([O:26][CH2:27][c:28]3[c:29]([F:37])[c:30]([F:36])[cH:31][cH:32][c:33]3[O:34][CH3:35])[cH:20]2)[n:3][c:4]([O:13][CH3:14])[n:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]