HRID98205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2756862

1-Bromo-2-butyne

C4H5Br

结构：CC(C)(C)OC(=O)N1CCN(c2nc3cnn(COCc4ccccc4)c(=O)c3[nH]2)CC1

HCID178452258

未命名化合物

PRODUCTS

生成物

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cnn(COCc3ccccc3)c(=O)c21

HCID57472622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b5d2d3d09464fe2917efc07e17747cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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