HRID2143122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4837

Piperazine

C4H10N2

HCID6342

Acetonitrile

C2H3N

HCID7914

Isopropyl ether

C6H14O

结构：O=C(Oc1ccccc1)OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1

HCID23343637

未命名化合物

PRODUCTS

生成物

结构：O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCNCC1

HCID23343639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9083ced18f14320a5cd6265dfdb072b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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