HRID1121001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

结构：NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl

HCID3440

Furosemide

C12H11ClN2O5S

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

HCID5354618

Cesium

结构：CC1COC(O)(c2cc(F)cc(F)c2)C(C)N1C(=O)OCCl

HCID72338832

Chloromethyl 2-(3,5-difluorophenyl)-2-hydroxy-3,5-dimethylmorpholine-4-carboxylate

C14H16ClF2NO4

PRODUCTS

生成物

结构：CC1COC(O)(c2cc(F)cc(F)c2)C(C)N1C(=O)OCOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1

HCID178431703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9dcb1200ab748548f8af68ccbc14419
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

[Cl:1][CH2:2][O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:22])[C:8]([OH:13])([c:14]2[cH:15][c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]2)[O:9][CH2:10][CH:11]1[CH3:12].[Cs:44].[I-:46].[NH2:23][S:24](=[O:25])(=[O:26])[c:27]1[cH:28][c:29]([C:30]([OH:31])=[O:32])[c:33]([NH:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][o:40]2)[cH:41][c:42]1[Cl:43].[Na+:45].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH2:2]([O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:22])[C:8]([OH:13])([c:14]2[cH:15][c:16]([F:21])[cH:17][c:18]([F:20])[cH:19]2)[O:9][CH2:10][CH:11]1[CH3:12])[O:31][C:30]([c:29]1[cH:28][c:27]([S:24]([NH2:23])(=[O:25])=[O:26])[c:42]([Cl:43])[cH:41][c:33]1[NH:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][o:40]1)=[O:32]