HRID687763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID104815

Cuprous ion

Cu+

HCID5460719

未命名化合物

HCID59251128

未命名化合物

HCID178526132

未命名化合物

PRODUCTS

生成物

结构：O=C(Sc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1

HCID59339848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8acef76f768544b1a58368ef74b85f5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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