HRID117829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11952

Phenacylamine

C8H9NO

HCID26255

Tetrafluoroborate

BF4-

HCID2733205

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CC(=O)O)cc2)C(OCc2ccc3ccccc3c2)C1

HCID22128103

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CC(=O)NCC(=O)c3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID54489579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b20c9dd4fc645b2bb4c2bdd3613f306
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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