HRID1563809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID3052153

未命名化合物

结构：CCCc1cc(N2CCN(CCO)CC2)ncc1C(OCc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F

HCID86647180

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(N2CCN(CCN3C(=O)NC(C)(c4ccc(OC(C)C)cc4)C3=O)CC2)ncc1C(OCc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F

HCID86647181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b9859ba526b4980856bb1e15e46ed76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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