HRID198364

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

HCID136069

1,8-Naphthyridine

C8H6N2

HCID54595731

未命名化合物

HCID66640919

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cl)nc(C2CC2)nc1N1CCC(c2ccc3cccnc3n2)CC1

HCID86618929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-529d905f92b2464f97dc310fa3e9cab2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:48](=[O:49])([OH:50])[O-:51].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][C:61]([N:62]([CH3:63])[CH3:64])=[O:65].[CH:10]1([c:13]2[n:14][c:15]([Cl:21])[c:16]([CH3:20])[c:17]([Cl:19])[n:18]2)[CH2:11][CH2:12]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[NH:22]1[CH2:23][CH2:24][CH:25]([c:28]2[n:29][c:30]3[n:31][cH:32][cH:33][cH:34][c:35]3[cH:36][cH:37]2)[CH2:26][CH2:27]1.[Na+:52].[OH2:53].[n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][n:44]2)[cH:45][cH:46][cH:47]1>>[CH:10]1([c:13]2[n:14][c:15]([N:22]3[CH2:23][CH2:24][CH:25]([c:28]4[n:29][c:30]5[n:31][cH:32][cH:33][cH:34][c:35]5[cH:36][cH:37]4)[CH2:26][CH2:27]3)[c:16]([CH3:20])[c:17]([Cl:19])[n:18]2)[CH2:11][CH2:12]1