HRID205651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8373

2-Methylbenzoic acid

C8H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1

HCID9966796

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1

HCID10181552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c12061dbdf6d412e81a2a2a645fb07bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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