HRID2146925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID162

6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C8H12N2O3S

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID23335822

未命名化合物

PRODUCTS

生成物

结构：CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccc4c(c3)CCO4)C(=O)N2C1C(=O)O

HCID22748511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da6287f918d447b189cac6a6c553e3b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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