HRID289519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID498716

未命名化合物

HCID4247255

N-Boc-2-aminoacetaldehyde

C7H13NO3

HCID10856744

7-(2-Aminoethyl)-4-hydroxy-3H-1,3-benzothiazol-2-one

C9H10N2O2S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN(CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)OCc1ccccc1

HCID59263886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7adf412acfa47aaaff95da8b08c527c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BrH:1].[C:16](=[O:17])([O-:18])[OH:19].[C:32]([BH3-:33])#[N:34].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][C:60](=[O:61])[OH:62].[Cl:36][C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[NH2:2][CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([OH:15])[c:9]2[nH:10][c:11](=[O:14])[s:12][c:13]12.[Na+:20].[Na+:35].[O:21]=[CH:22][CH2:23][NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31].[OH2:52]>>[N:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([OH:15])[c:9]2[nH:10][c:11](=[O:14])[s:12][c:13]12)([CH2:22][CH2:23][NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1