HRID307046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7766

Diethyl Carbonate

C5H10O3

HCID8028

Tetrahydrofuran

C4H8O

HCID12090

Benzonitrile, 4-nitro-

C7H4N2O2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID44248634

未命名化合物

PRODUCTS

产物

HCID66674207

(5-Cyano-2-nitro-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester

C21H22N4O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-813ec8db304e424d8435fdd1efc1f734
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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