HRID207596

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

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

HCID57542304

未命名化合物

HCID67101984

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCN1C(=O)CCC1CNC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

HCID67101953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8665e6d4218418db2b2bba39a9e017d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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]([CH2:36][CH2:37][CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[C:32](=[O:35])[CH2:33][CH2:34]1.[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]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]([CH2:36][CH2:37][CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[C:32](=[O:35])[CH2:33][CH2:34]3)[cH:16][cH:17]2)[cH:5][cH:6][cH:7][cH:8]1