HRID164199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9255

Oxazole

C3H3NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：COc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)C(C)C2)c(F)cc1Cl

HCID16006323

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)C(C)C2)c(F)cc1Cl

HCID16006221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e56ac8481884476b3ac0983edd412d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:11][c:12]1[cH:13][c:14]([F:40])[c:15]([N:20]2[CH2:21][CH:22]([CH3:39])[N:23]([C:26]([CH2:27][n:28]3[n:29][c:30]([I:37])[c:31]4[c:32]3[n:33][cH:34][cH:35][cH:36]4)=[O:38])[CH2:24][CH2:25]2)[cH:16][c:17]1[O:18][CH3:19].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[Pd:128].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1.[o:1]1[cH:2][n:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:30]2[n:29][n:28]([CH2:27][C:26]([N:23]3[CH:22]([CH3:39])[CH2:21][N:20]([c:15]4[c:14]([F:40])[cH:13][c:12]([Cl:11])[c:17]([O:18][CH3:19])[cH:16]4)[CH2:25][CH2:24]3)=[O:38])[c:32]3[c:31]2[cH:36][cH:35][cH:34][n:33]3)[n:3][cH:4][cH:5]1