HRID2147704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID413434

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1sc(N2CCN(Cc3ccc(F)cc3)C2=O)cc1C

HCID58031706

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C1=NC(Cc2ccccc2)CN1

HCID178428030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc29e8fd45704fc0a46af0ca4d31945a
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

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