HRID86787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID242510

1-(2-methylbut-3-yn-2-yl)piperidine

C10H17N

结构：NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4cc(I)sc34)c(F)c2)CC1

HCID67347909

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#Cc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3F)c2s1)N1CCCCC1

HCID67348672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1ad12f9b6644b24931b19e287939908
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:35][C:36]([CH3:37])([C:38]#[CH:39])[N:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[F:1][c:2]1[cH:3][c:4]([N:19]([C:20](=[O:21])[C:22]2([C:25](=[O:26])[NH2:27])[CH2:23][CH2:24]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16]([I:18])[s:17]2>>[F:1][c:2]1[cH:3][c:4]([N:19]([C:20](=[O:21])[C:22]2([C:25](=[O:26])[NH2:27])[CH2:23][CH2:24]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16]([C:39]#[C:38][C:36]([CH3:35])([CH3:37])[N:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1)[s:17]2