HRID157992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

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)NCc2cccnc2)c(NCCc2cccc(F)c2)n1

HCID57542525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0feb5dc9f164c2c828908e254bb55bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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