HRID673585

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

HCID6344

Dichloromethane

CH2Cl2

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

结构：O=C(Nc1ccc(C2(O)CCN(C(=O)OCc3ccccc3)CC2)c(F)c1)OCc1ccccc1

HCID54284634

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C2(F)CCN(C(=O)OCc3ccccc3)CC2)c(F)c1)OCc1ccccc1

HCID53851069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eb382cd1d344fac997ed811e6ca60df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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