HRID1210584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID17987855

未命名化合物

HCID58416779

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3N)c3ccccc23)cc1

HCID58416748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0f9ecdd538f44ffadcfdcff1e1bced7
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

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