HRID1777845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：COC(=O)c1ccc(CNC(=O)c2cnc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)[C@H]3C(C)C)cc1

HCID118274896

未命名化合物

反应SMILES：CC(C)[C@H]1c2ncc(C(=O)O)cc2CN1Cc1ccc(C(F)(F)F)cc1

HCID118274962

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)[C@H]1c2ncc(C(=O)NCc3ccc(C(=O)O)cc3)cc2CN1Cc1ccc(C(F)(F)F)cc1

HCID118274909

未命名化合物

PROCEDURE

实验过程

Procedure same as that for (S)-7-isopropyl-6-(4-(trifluoromethyl)benzyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylic acid, using methyl(S)-4-((7-isopropyl-6-(4-(trifluoromethyl)benzyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamido)methyl)benzoate as a starting material. LC-MS tR=1.20 min in 2 min chromatography, MS (ESI) m/z 498 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-42a820834f2840f8b668d45fe7b4c64d
来源数据集: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US09266886B2
来源说明: uspto-grants-2016_02

反应SMILES

C([C@H]1C2=NC=C(C(O)=O)C=C2CN1CC1C=CC(C(F)(F)F)=CC=1)(C)C.[CH:27]([C@H:30]1[C:34]2=[N:35][CH:36]=[C:37]([C:39]([NH:41][CH2:42][C:43]3[CH:52]=[CH:51][C:46]([C:47]([O:49]C)=[O:48])=[CH:45][CH:44]=3)=[O:40])[CH:38]=[C:33]2[CH2:32][N:31]1[CH2:53][C:54]1[CH:59]=[CH:58][C:57]([C:60]([F:63])([F:62])[F:61])=[CH:56][CH:55]=1)([CH3:29])[CH3:28]>>[CH:27]([C@H:30]1[C:34]2=[N:35][CH:36]=[C:37]([C:39]([NH:41][CH2:42][C:43]3[CH:52]=[CH:51][C:46]([C:47]([OH:49])=[O:48])=[CH:45][CH:44]=3)=[O:40])[CH:38]=[C:33]2[CH2:32][N:31]1[CH2:53][C:54]1[CH:55]=[CH:56][C:57]([C:60]([F:62])([F:63])[F:61])=[CH:58][CH:59]=1)([CH3:29])[CH3:28]