HRID1561178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

结构：COc1ccc(N2C(=O)N(c3cccc(C#N)c3)c3nc(Nc4cccc(CCOS(C)(=O)=O)c4)ncc3C2C)cc1

HCID10325979

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCc1cccc(Nc2ncc3c(n2)N(c2cccc(C#N)c2)C(=O)N(c2ccc(OC)cc2)C3C)c1

HCID10076529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26e9dd10731441af966f13a27a5f7354
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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