HRID1140851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12272

3-Iodophenol

C6H5IO

结构：CC1(C)OC(=O)C=C(CC(O)(C#C[Si](C)(C)C)C2CCCC2)O1

HCID22499793

未命名化合物

HCID58762329

1-(4-Bromo-2-fluorophenyl)cyclopropane-1-carbonitrile

C10H7BrFN

PRODUCTS

生成物

结构：CC1(C)OC(=O)C=C(CC(O)(C#Cc2ccc(C3(C#N)CC3)c(F)c2)C2CCCC2)O1

HCID58762334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b746626964fc41e4a0c0aeaab7a82a53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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