HRID310678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID79341

Piperidin-4-ol

C5H11NO

HCID130500

未命名化合物

结构：COc1c(NC(=O)Nc2ccc(C(=O)O)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID12150104

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)Nc2ccc(C(=O)N3CCC(O)CC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID12150107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56e2c5dc41b04c5ca419c092a74eabec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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