HRID142824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID58293651

4,6-Dichloro-5-methoxy-2-methylpyrimidine

C6H6Cl2N2O

HCID66640919

未命名化合物

PRODUCTS

生成物

结构：COc1c(Cl)nc(C)nc1N1CCC(c2ccc3cccnc3n2)CC1

HCID86618926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-536b0d2a19aa4d0ab74239cd3850c843
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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