HRID304584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13729

未命名化合物

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID11708267

Bistrimethylsilylacetamid

C8H21NOSi2

HCID23335821

(2,3-Dihydro-1-benzofuran-5-yl)(hydroxy)acetic acid

C10H10O4

PRODUCTS

生成物

结构：CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(O)c3ccc4c(c3)CCO4)C2SC1

HCID23335848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c042d5b862c14412b3b22320456a84d7
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

[C:35]([CH3:36])(=[O:37])[O:38][CH2:39][C:40]1=[C:41]([C:50](=[O:51])[OH:52])[N:42]2[C:43](=[O:49])[CH:44]([NH2:48])[CH:45]2[S:46][CH2:47]1.[C:53](=[O:54])([OH:55])[O-:56].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:15][Si:16]([CH:17]([Si:18]([CH3:19])([CH3:20])[CH3:21])[C:22]([NH2:23])=[O:24])([CH3:25])[CH3:26].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[Cl:27][C:28]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])=[O:34].[Na+:57].[OH2:58].[OH:1][CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:14]1)[CH2:11][CH2:12][O:13]2>>[OH:1][CH:2]([C:3](=[O:5])[NH:48][CH:44]1[C:43](=[O:49])[N:42]2[C:41]([C:50](=[O:51])[OH:52])=[C:40]([CH2:39][O:38][C:35]([CH3:36])=[O:37])[CH2:47][S:46][CH:45]21)[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:14]1)[CH2:11][CH2:12][O:13]2