HRID1560355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID14143189

5-(Aminomethyl)pyrrolidin-2-one

C5H10N2O

结构：N#Cc1ccccc1-c1ccc(C(=O)O)c(NCCc2cccc(F)c2)n1

HCID57542304

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccccc1-c1ccc(C(=O)NCC2CCC(=O)N2)c(NCCc2cccc(F)c2)n1

HCID67101986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-663a0054589343569cdc3f947ac870de
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

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