HRID208463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O

HCID2174

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

C16H19N3O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15882

(2-Methoxyphenoxy)acetic acid

C9H10O4

HCID19660

Carbonate

CO3-2

HCID96218

1(3H)-Isobenzofuranone, 3-bromo-

C8H5BrO2

PRODUCTS

生成物

结构：CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OC1OC(=O)c2ccccc21

HCID5373

未命名化合物

HCID3335630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-750c949a9a624b01961033d9c0f5d4e0
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

[Br:33][CH:34]1[O:35][C:36](=[O:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]21.[C:27](=[O:28])([O-:29])[O-:30].[CH2:25]=[O:26].[CH3:44][O:45][c:46]1[c:47]([O:48][CH2:49][C:50](=[O:51])[OH:52])[cH:53][cH:54][cH:55][cH:56]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:1]12[S:2][C:3]([CH3:4])([CH3:5])[CH:6]([C:22]([OH:23])=[O:24])[N:7]1[C:8](=[O:9])[CH:10]2[NH:11][C:12](=[O:13])[CH:14]([NH2:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[K+:31].[K+:32].[Na+:58].[OH-:57].[OH2:64]>>[CH3:44][O:45][c:46]1[c:47]([O:48][CH2:49][C:50](=[O:51])[O-:52])[cH:53][cH:54][cH:55][cH:56]1.[CH:1]12[S:2][C:3]([CH3:4])([CH3:5])[CH:6]([C:22]([O:23][CH:34]3[O:35][C:36](=[O:37])[c:38]4[cH:39][cH:40][cH:41][cH:42][c:43]43)=[O:24])[N:7]1[C:8](=[O:9])[CH:10]2[NH:11][C:12](=[O:13])[CH:14]([NH2:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1