HRID1218348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID736817

1-Boc-4-(aminomethyl)piperidine

C11H22N2O2

HCID59613517

2-Pyrazinecarbonitrile, 5-[(6-chloro-4-pyrimidinyl)amino]-3-methoxy-

C10H7ClN6O

PRODUCTS

生成物

结构：COc1nc(Nc2cc(NCC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cnc1C#N

HCID59613473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-223cdbf174fc4413a4267ea65b38ef64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][C:42]#[N:43].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]([O:17][CH3:18])[c:12]([C:15]#[N:16])[n:13][cH:14]2)[n:5][cH:6][n:7]1.[NH2:19][CH2:20][CH:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]1>>[c:2]1([NH:19][CH2:20][CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]2)[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]([O:17][CH3:18])[c:12]([C:15]#[N:16])[n:13][cH:14]2)[n:5][cH:6][n:7]1