HRID2123124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID12052

Silane, triethyl-

C6H16Si

HCID77922

tert-Butyl carbamate

C5H11NO2

结构：O=Cc1cc(C(=O)O)c(Nc2ccc(I)cc2F)c(F)c1F

HCID23132325

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cc(C(=O)O)c(Nc2ccc(I)cc2F)c(F)c1F

HCID86634366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61375dd6015046649c0cf56174c01967
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

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