HRID2134254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID438968

Morpholin-4-yl-acetic acid

C6H11NO3

结构：CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1CN)c1ccc(F)cc1

HCID67454995

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1CNC(=O)CN1CCOCC1)c1ccc(F)cc1

HCID69285813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66fdf7d7768548238e2a8a92f6860294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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