HRID199474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

3 次

结构：CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O

HCID2171

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

C16H19N3O5S

2 次

HCID5360545

Sodium

PRODUCTS

生成物

HCID2171

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

C16H19N3O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a221e24acc8a4672b73345a6eb2ce9f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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