HRID1136155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID68705243

5-[(1-Methyl-4-piperidinyl)oxy][1,1′-biphenyl]-2-amine

C18H22N2O

结构：N#Cc1ncc(C(=O)O)c(NCC2CCC3(CC2)CC3)n1

HCID68706702

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(Oc2ccc(NC(=O)c3cnc(C#N)nc3NCC3CCC4(CC3)CC4)c(-c3ccccc3)c2)CC1

HCID44587862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c0fb73ab946495bab0c5d1e66f3bf1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:22](#[N:23])[c:24]1[n:25][cH:26][c:27]([C:40](=[O:41])[OH:42])[c:28]([NH:30][CH2:31][CH:32]2[CH2:33][CH2:34][C:35]3([CH2:36][CH2:37]3)[CH2:38][CH2:39]2)[n:29]1.[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([O:8][c:9]2[cH:10][cH:11][c:12]([NH2:21])[c:13](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[CH2:6][CH2:7]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:43][n:44]1[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([O:8][c:9]2[cH:10][cH:11][c:12]([NH:21][C:40]([c:27]3[cH:26][n:25][c:24]([C:22]#[N:23])[n:29][c:28]3[NH:30][CH2:31][CH:32]3[CH2:33][CH2:34][C:35]4([CH2:36][CH2:37]4)[CH2:38][CH2:39]3)=[O:41])[c:13](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[CH2:6][CH2:7]1