HRID668291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID736197

未命名化合物

HCID3015602

O-(Triphenylmethyl)hydroxylamine

C19H17NO

PRODUCTS

生成物

结构：O=C(CSc1ccc(F)cc1)NOC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86619939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cb259b341ea402493851702e792f813
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

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