HRID809488

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

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：O=C(Nc1ccc(Cc2ccnc3[nH]cc(Br)c23)c(F)c1)C(F)(F)F

HCID59305008

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：Cc1ccc(S(=O)(=O)n2cc(Br)c3c(Cc4ccc(NC(=O)C(F)(F)F)cc4F)ccnc32)cc1

HCID59304989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-56a7117a715c4839b40c3ee4705a2a05
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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