HRID142636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID339556

Pyrrolidine, 2-(phenylmethyl)-

C11H15N

结构：COC(N(C)c1ccccc1)=[N+](C(F)F)C(F)(F)F

HCID86594256

未命名化合物

结构：CC(Nc1ncnc2cc(C(=O)O)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

HCID178463504

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ncnc2cc(C(=O)N3CCCC3Cc3ccccc3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

HCID178463457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8297df469b574755b39daa8e6aeadc38
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

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