HRID667062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID95102

1,1-Dimethylethanolamine

C4H11NO

HCID130500

未命名化合物

HCID66643669

未命名化合物

PRODUCTS

生成物

结构：CCCCc1noc(C)c1CCc1nc(C)c(C(=O)NCC(C)(C)O)s1

HCID49782038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c1459a18fc244ea8be6c4095cb6ce8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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