HRID190497

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

HCID8857

Ethyl acetate

C4H8O2

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID77274956

未命名化合物

PRODUCTS

生成物

结构：CC(O)C1COCC(c2cc(F)c(F)c(F)c2)N1C(=O)OCc1ccccc1

HCID77274881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b77780ec54a64989aebc4cbd3e10d348
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

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