HRID1865294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14572

Benzoic acid, p-(dimethylsulfamoyl)-

C9H11NO4S

HCID78548

3-Hydroxy-2,2-dimethylpropionic acid

C5H10O3

HCID81326

1-Methylcyclopropanecarboxylic acid

C5H8O2

HCID229352

3-sulfamoylbenzoic acid

C7H7NO4S

HCID250653

4-(Methylsulfonamido)benzoic acid

C8H9NO4S

HCID252654

3-methylsulfamoyl-benzoic acid

C8H9NO4S

HCID506056

4-[(methylamino)sulfonyl]benzoic acid

C8H9NO4S

HCID2778306

1-(Trifluoromethyl)cyclopropane-1-carboxylic acid

C5H5F3O2

HCID4985762

3-(Dimethylsulfamoyl)benzoic acid

C9H11NO4S

结构：Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4cccc(F)c4)CCNCC3)CC2C1

HCID68576683

未命名化合物

PRODUCTS

生成物

结构：Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C4(C(F)(F)F)CC4)CC3)CC2C1

HCID24937670

未命名化合物

PROCEDURE

实验过程

The following were prepared analogously from (4,6-dimethyl-pyrimidin-5-yl)-(5-{2-[4-(3-fluoro-phenyl)-piperidin-4-yl]-ethyl}-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl)-methanone using the carboxylic acid in parenthesis in place of 1-trifluoromethylcyclopropanecarboxylic acid: I-42 (1-methyl-cyclopropanecarboxylic acid), I-15 (4-methylsulfamoyl-benzoic acid), I-16 (4-dimethylsulfamoyl-benzoic acid), I-17 (3-sulfamoyl-benzoic acid), I-18 (3-methylsulfamoyl-benzoic acid), I-19 (3-dimethylsulfamoyl-benzoic acid), I-21 (4-methanesulfonylamino-benzoic acid) and I-44 (2,2-dimethyl-3-hydroxy-propionic acid).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13017b2e51c4422bafd3698600574e1f
来源数据集: uspto-grants-2009_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07625905B2
来源说明: uspto-grants-2009_12

反应 SMILES

[CH3:1][C:2]1[C:7]([C:8]([N:10]2[CH2:17][CH:16]3[CH:12]([CH2:13][N:14]([CH2:18][CH2:19][C:20]4([C:26]5[CH:31]=[CH:30][CH:29]=[C:28]([F:32])[CH:27]=5)[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]4)[CH2:15]3)[CH2:11]2)=[O:9])=[C:6]([CH3:33])[N:5]=[CH:4][N:3]=1.[F:34][C:35]([F:43])([F:42])[C:36]1([C:39](O)=[O:40])[CH2:38][CH2:37]1.CC1(C(O)=O)CC1.CNS(C1C=CC(C(O)=O)=CC=1)(=O)=O.CN(C)S(C1C=CC(C(O)=O)=CC=1)(=O)=O.S(C1C=C(C=CC=1)C(O)=O)(=O)(=O)N.CNS(C1C=C(C=CC=1)C(O)=O)(=O)=O.CN(C)S(C1C=C(C=CC=1)C(O)=O)(=O)=O.CS(NC1C=CC(C(O)=O)=CC=1)(=O)=O.CC(C)(CO)C(O)=O>>[CH3:33][C:6]1[C:7]([C:8]([N:10]2[CH2:17][CH:16]3[CH:12]([CH2:13][N:14]([CH2:18][CH2:19][C:20]4([C:26]5[CH:31]=[CH:30][CH:29]=[C:28]([F:32])[CH:27]=5)[CH2:21][CH2:22][N:23]([C:39]([C:36]5([C:35]([F:43])([F:42])[F:34])[CH2:38][CH2:37]5)=[O:40])[CH2:24][CH2:25]4)[CH2:15]3)[CH2:11]2)=[O:9])=[C:2]([CH3:1])[N:3]=[CH:4][N:5]=1