HRID177617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID58026040

未命名化合物

结构：COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)O)c12

HCID59681592

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cc(C#N)c(=O)n4-c4ccccc4)C3)c12

HCID44555602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc6e7776e669453e81cffa8d5f944ce8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:42]([F:43])([F:44])([F:45])[F:46].[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6](-[n:9]3[n:10][c:11]([CH3:14])[n:12][cH:13]3)[n:7][cH:8]1)[nH:15][cH:16][c:17]2[C:18]([C:19](=[O:20])[OH:21])=[O:22].[CH3:78][CH2:79][O:80][C:81]([CH3:82])=[O:83].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[O:23]=[c:24]1[n:25](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:26]2[c:31]([cH:32][c:33]1[C:34]#[N:35])[CH2:30][NH:29][CH2:28][CH2:27]2.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6](-[n:9]3[n:10][c:11]([CH3:14])[n:12][cH:13]3)[n:7][cH:8]1)[nH:15][cH:16][c:17]2[C:18]([C:19](=[O:21])[N:29]1[CH2:28][CH2:27][c:26]2[n:25](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:24](=[O:23])[c:33]([C:34]#[N:35])[cH:32][c:31]2[CH2:30]1)=[O:22]