HRID2330821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID15326949

tert-Butyl 4-(cyanomethylidene)piperidine-1-carboxylate

C12H18N2O2

结构：c1cnc2ccc(Cc3cnc4ncc(-c5cn[nH]c5)nn34)cc2c1

HCID136344847

Quinoline, 6-[[2-(1H-pyrazol-4-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]-

C18H13N7

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(-c3cnc4ncc(Cc5ccc6ncccc6c5)n4n3)cn2)CC1

HCID67223980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83c25e7da8844ef19ce25ca7843f7592
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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