HRID1540571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4

1-Amino-2-propanol

C3H9NO

HCID313

Hydrochloric Acid

ClH

2 次

HCID26107

1-Aminobutan-2-ol

C4H11NO

HCID11542801

未命名化合物

HCID24254980

5-Methyl-2-oxazoleethanamine

C6H10N2O

结构：CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(F)c3)s2)o1

HCID86598448

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(F)c3)s2)o1

HCID86598450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6fc04b4845b4ca194adfe2710ef4902
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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