HRID158460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID67435

1,4-Dioxa-8-azaspiro(4.5)decane

C7H13NO2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：Cc1cc(Cl)nc2nc(N3C(=O)c4ccccc4C3CC(=O)O)ccc12

HCID21288069

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)nc2nc(N3C(=O)c4ccccc4C3CC(=O)N3CCC4(CC3)OCCO4)ccc12

HCID13655946

2-(7-Chloro-5-methyl-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-one

C26H25ClN4O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6a8823d45414135b394522548623596
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

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