HRID1123191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID4189925

N-Boc-4-Hydroxyphenyl-DL-glycine

C13H17NO5

HCID15570840

1,3-Dioxolane-4-methanol, 2,2-dimethyl-, 4-methanesulfonate

C7H14O5S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(OCC2COC(C)(C)O2)cc1

HCID69464441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18d914ce0b7542efaaffc14a0ac42565
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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