HRID156740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID425143

O-[(2-Methyl-4-thiazolyl)methyl]hydroxylamine

C5H8N2OS

HCID58989848

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(=O)NOCc2csc(C)n2)c1NCc1ccncc1

HCID11222844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19af34883e094bd38bdc368cdecf2b72
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-:27]([F:28])([F:29])([F:30])[F:31].[CH3:1][O:2][c:3]1[c:4]([NH:12][CH2:13][c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:32][N+:33]([CH3:34])=[C:35]([N:36]([CH3:37])[CH3:38])[O:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[CH3:50][c:51]1[s:52][cH:53][c:54]([CH2:56][O:57][NH2:58])[n:55]1.[ClH:49].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:64]>>[CH3:1][O:2][c:3]1[c:4]([NH:12][CH2:13][c:14]2[cH:15][cH:16][n:17][cH:18][cH:19]2)[c:5]([C:6](=[O:8])[NH:58][O:57][CH2:56][c:54]2[cH:53][s:52][c:51]([CH3:50])[n:55]2)[cH:9][cH:10][cH:11]1