HRID1555009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID11030256

2-(4-chlorophenyl)propan-2-amine

C9H12ClN

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)O)c3)cc12

HCID59275424

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC(C)(C)c4ccc(Cl)cc4)c3)cc12

HCID59275627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e05a3f5db374bb5800daa2b0ab5c5d5
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

[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH3:9])([CH3:10])[NH2:11])[cH:6][cH:7]1.[F:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[o:53][c:54]3[c:55]([c:56]2[C:57]([NH:58][CH3:59])=[O:60])[cH:61][c:62](-[c:65]2[cH:66][c:67]([C:68](=[O:69])[OH:70])[cH:71][cH:72][cH:73]2)[cH:63][cH:64]3)[cH:50][cH:51]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH3:9])([CH3:10])[NH:11][C:68]([c:67]2[cH:66][c:65](-[c:62]3[cH:61][c:55]4[c:54]([o:53][c:52](-[c:49]5[cH:48][cH:47][c:46]([F:45])[cH:51][cH:50]5)[c:56]4[C:57]([NH:58][CH3:59])=[O:60])[cH:64][cH:63]3)[cH:73][cH:72][cH:71]2)=[O:69])[cH:6][cH:7]1