HRID123737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1531

1,3-Propanediol, 2-amino-2-methyl-

C4H11NO2

HCID8028

Tetrahydrofuran

C4H8O

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(C)(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59639563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e85fef62a5fe4e9284982ef4df1ddd32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[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][C:33]([CH2:34][OH:35])([CH2:36][OH:37])[CH3:38]>>[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][C:33]([CH2:34][OH:35])([CH2:36][OH:37])[CH3:38])[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