HRID103106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID78925

Methylthioethanol

C3H8OS

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(O)cn1

HCID86626872

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCSC)cn1

HCID86626886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-030eb539328c48a4a25349c52c99fa99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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