HRID1128318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID27281660

6-(Bromomethyl)pyridine-2-carbonitrile

C7H5BrN2

结构：COc1ccc(NC2CCN(C(C)CCNC(=O)OC(C)(C)C)CC2)cc1

HCID68971156

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(Cc2cccc(C#N)n2)C2CCN(C(C)CCNC(=O)OC(C)(C)C)CC2)cc1

HCID68973523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ee88332772042b1a351484ae46a0b72
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

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