HRID1205054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8016

N-Methyl-N-hydroxyethylamine

C3H9NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1

HCID59240635

未命名化合物

PRODUCTS

生成物

结构：CN(CCO)C(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1

HCID59240625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3951fb6aa014618b406989788dac487
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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