HRID2159995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID580651

N-ETHYL-4-CHLOROBENZYLAMINE

C9H12ClN

HCID57640312

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(CCSc2ccccc2C(=O)OC)cc1

HCID69258846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f9762644bbb463182c1102cb99b3489
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:36]([F:37])([F:38])([F:39])[F:40].[CH2:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH:63]([CH3:64])[CH3:65])[CH3:66].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([S:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:18][CH2:19][C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:7][cH:8][cH:9][cH:10]1.[Cl:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][NH:31][CH2:32][CH3:33])[cH:34][cH:35]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([S:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:18][CH2:19][C:20](=[O:22])[N:31]([CH2:30][c:29]3[cH:28][cH:27][c:26]([Cl:25])[cH:35][cH:34]3)[CH2:32][CH3:33])[cH:23][cH:24]2)[cH:7][cH:8][cH:9][cH:10]1