HRID1214295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

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

HCID81643

2-Propyn-1-amine, N,N-dimethyl-

C5H9N

结构：COC(=O)COc1ccc(OCC=C(c2ccc(I)cc2)c2ccc(C(C)(C)C)cc2)cc1C

HCID91566432

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(OCC=C(c2ccc(C#CCN(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1C

HCID91163205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ac3b0a2503b48cf8dde0c8fd1ca93b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][cH:20][c:21]([C:24](=[CH:25][CH2:26][O:27][c:28]2[cH:29][c:30]([CH3:40])[c:31]([O:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[c:41]2[cH:42][cH:43][c:44]([I:47])[cH:45][cH:46]2)[cH:22][cH:23]1.[CH3:1][N:2]([CH3:3])[CH2:4][C:5]#[CH:6].[CH:7]([NH:8][CH:9]([CH3:10])[CH3:11])([CH3:12])[CH3:13].[Cu:53][I:54].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[Pd:55]([Cl:56])[Cl:57].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[CH3:1][N:2]([CH3:3])[CH2:4][C:5]#[C:6][c:44]1[cH:43][cH:42][c:41]([C:24]([c:21]2[cH:20][cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:23][cH:22]2)=[CH:25][CH2:26][O:27][c:28]2[cH:29][c:30]([CH3:40])[c:31]([O:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[cH:46][cH:45]1