HRID690099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID81531

Diisopropylethylamine

C8H19N

HCID543061

未命名化合物

结构：CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(I)cc2)CC(C)(C)C1

HCID68654546

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC#Cc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1

HCID68654330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e0fcf221034da0840fbb046da2d056
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:35]([CH2:36][CH2:37][C:38]#[CH:39])(=[O:40])[O:41][CH3:42].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl-:43].[Cu:91][I:92].[I:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][C:18]([CH3:24])([CH3:25])[CH2:19][C:20]([CH3:22])([CH3:23])[CH2:21]2)[cH:6][cH:7]1.[NH4+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:93].[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[c:2]1([C:39]#[C:38][CH2:37][CH2:36][C:35](=[O:40])[O:41][CH3:42])[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][C:18]([CH3:24])([CH3:25])[CH2:19][C:20]([CH3:22])([CH3:23])[CH2:21]2)[cH:6][cH:7]1