HRID150396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID521150

N-Allylbenzylamine

C10H13N

HCID10515816

2-(Benzyl(tert-butoxycarbonyl)amino)acetic acid

C14H19NO4

PRODUCTS

生成物

结构：C=CCN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C

HCID59596676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-401111650b5e4955899793e40f96beff
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-:29]([F:30])([F:31])([F:32])[F:33].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[c:51]1([CH2:57][NH:58][CH2:59][CH:60]=[CH2:61])[cH:52][cH:53][cH:54][cH:55][cH:56]1.[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][C:10](=[O:12])[N:58]([CH2:57][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH2:59][CH:60]=[CH2:61])[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1