HRID173354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID68294

1,3-Propanediol, 2-amino-

C3H9NO2

结构：Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59639554

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID10297982

Dilmapimod

C23H19F3N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0201ecb4a40344fba0186ab335c8cb77
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

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