HRID2313329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

HCID84468

Trifluoroacetate

C2F3O2-

HCID19907192

未命名化合物

结构：COc1ccc(S(=O)(=O)N2C(=O)C(O)(c3cc(C)ccc3OC)c3cc(Br)cnc32)c(OC(F)(F)F)c1

HCID67427767

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(C)ccc3OC)(N3CC(O)CC3C(=O)N(C)C)c3cc(Br)cnc32)c(OC(F)(F)F)c1

HCID178492848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fef3abf0925418fa850f2fdc9bbd3d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[OH:20].[CH3:38][S:39]([O:40][S:41]([CH3:42])(=[O:43])=[O:44])(=[O:45])=[O:46].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[Cl:70][CH:71]([Cl:72])[Cl:73].[Na+:69].[O-:58][C:59]([C:60]([F:61])([F:62])[F:63])=[O:64].[O-:65][C:66]([OH:67])=[O:68].[OH:47][CH:48]1[CH2:49][CH:50]([C:53](=[O:54])[N:55]([CH3:56])[CH3:57])[NH:51][CH2:52]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[N:51]1[CH:50]([C:53](=[O:54])[N:55]([CH3:56])[CH3:57])[CH2:49][CH:48]([OH:47])[CH2:52]1