HRID180350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID557

1-methylpyrrolidine-2-carboxylic acid

C6H11NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1N

HCID57505476

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)C1CCCN1C

HCID178426736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f29ca81a65d439299d1a7b8854a3f76
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

[CH3:1][N:2]1[CH:3]([C:4](=[O:5])[OH:6])[CH2:7][CH2:8][CH2:9]1.[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[NH2:10][c:11]1[cH:12][c:13]([O:14][c:15]2[cH:16][cH:17][c:18]3[n:19]([n:20]2)[cH:21][c:22]([NH:24][C:25](=[O:26])[CH:27]2[CH2:28][CH2:29]2)[n:23]3)[cH:30][cH:31][c:32]1[CH3:33].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH3:1][N:2]1[CH:3]([C:4](=[O:6])[NH:10][c:11]2[cH:12][c:13]([O:14][c:15]3[cH:16][cH:17][c:18]4[n:19]([n:20]3)[cH:21][c:22]([NH:24][C:25](=[O:26])[CH:27]3[CH2:28][CH2:29]3)[n:23]4)[cH:30][cH:31][c:32]2[CH3:33])[CH2:7][CH2:8][CH2:9]1