HRID1203444

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

HCID824660

未命名化合物

HCID66640919

未命名化合物

PRODUCTS

生成物

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

HCID86618928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d20b6f300da4c7ab3ab44f64639ea71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]([Cl:22])[c:17]([CH3:21])[c:18]([Cl:20])[n:19]1.[C:49](=[O:50])([OH:51])[O-:52].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][C:62]([N:63]([CH3:64])[CH3:65])=[O:66].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[NH:23]1[CH2:24][CH2:25][CH:26]([c:29]2[n:30][c:31]3[n:32][cH:33][cH:34][cH:35][c:36]3[cH:37][cH:38]2)[CH2:27][CH2:28]1.[Na+:53].[OH2:54].[n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][n:45]2)[cH:46][cH:47][cH:48]1>>[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]([N:23]2[CH2:24][CH2:25][CH:26]([c:29]3[n:30][c:31]4[n:32][cH:33][cH:34][cH:35][c:36]4[cH:37][cH:38]3)[CH2:27][CH2:28]2)[c:17]([CH3:21])[c:18]([Cl:20])[n:19]1