HRID1153595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81349

4-Methyl-1-piperazinamine

C5H13N3

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CN1C(=O)C2(CCC2)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)cc3F)ncc21

HCID58154071

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(NC(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC3(CCC3)C(=O)N4C)c(F)c2)CC1

HCID42638556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab8004c25d6149c1ba1eaac1954ce875
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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