HRID2329408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID164013

4-Methyl-3-methylsulfonyl-5-phenyl-4H-1,2,4-triazole

C10H11N3O2S

HCID3280088

未命名化合物

HCID57756218

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2ccc(Oc3ncccc3-c3ccnc(N)n3)cc2)nnc1-c1ccccc1

HCID58966969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57f9086cf0114229a483299f78e21be3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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