HRID2135868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22250077

5-Hydroxy-2-methyl-1H-indole-3-carbonitrile

C10H8N2O

结构：Cc1nc(-c2cc3nccc(Cl)c3s2)sc1C(=O)N1CCN(C)CC1

HCID22250086

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cc3nccc(Oc4ccc5[nH]c(C)c(C#N)c5c4)c3s2)sc1C(=O)N1CCN(C)CC1

HCID10165314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-943392d9a74a436aa3e845d76bf96f83
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

[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[s:12][c:13]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[c:14]([CH3:16])[n:15]1)[s:10]2.[OH:26][c:27]1[cH:28][c:29]2[c:30]([C:37]#[N:38])[c:31]([CH3:36])[nH:32][c:33]2[cH:34][cH:35]1>>[c:2]1([O:26][c:27]2[cH:28][c:29]3[c:30]([C:37]#[N:38])[c:31]([CH3:36])[nH:32][c:33]3[cH:34][cH:35]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[s:12][c:13]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[c:14]([CH3:16])[n:15]1)[s:10]2