HRID143289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID26255

Tetrafluoroborate

BF4-

HCID75646

Cyclopropanemethanamine

C4H9N

HCID2733205

未命名化合物

结构：CC(C(=O)O)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21

HCID21072500

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)NCC1CC1)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21

HCID11257831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-514587c3ad214e0db13966e18ad6c3ac
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

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