HRID1227557

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

HCID2756484

tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

C10H20N2O2

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：CC(C)(C)OC(=O)N1CCCC1CNC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

HCID57542275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc7552a579014fef97df150aa360ee16
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

[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[N:31]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:32][CH2:33][CH2:34]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1.[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]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:28][CH2:29][CH:30]3[N:31]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:32][CH2:33][CH2:34]3)[cH:16][cH:17]2)[cH:5][cH:6][cH:7][cH:8]1