HRID293279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11428

3-Pentanol

C5H12O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2O)nc1

HCID86626825

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2OC(CC)CC)nc1

HCID86626827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05697c9e3f0e46d89f2adbb881cd4371
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:44][CH2:45][CH:46]([CH2:47][CH3:48])[OH:49].[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25]([OH:34])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43].[O:69]=[C:70]([O:71][CH2:72][CH3:73])[N:74]=[N:75][C:76]([O:77][CH2:78][CH3:79])=[O:80].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:99].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25]([O:34][CH:46]([CH2:45][CH3:44])[CH2:47][CH3:48])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:42])[F:43]