HRID684876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

HCID58769998

未命名化合物

HCID59551734

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC

HCID58770761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b82adbf5fd74e17974df32b71b33971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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