HRID2366100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccccn5)ccc43)cc2)cn1

HCID16224456

未命名化合物

反应SMILES：CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3ccc(O)nc3)cc2)c2ccc(OCc3ccccn3)cc12

HCID178454935

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(S(=O)C(C)(C)C)c4cc(OCc5ccccn5)ccc43)cc2)cn1

HCID45273712

未命名化合物

PROCEDURE

实验过程

3-[3-tert-butylsulfanyl-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-5-(1-oxy-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (M3); the acyl gluconuride of 3-[3-tert-butylsulfanyl-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (M4); and 3-[3-tert-butylsulfanyl-1-[4-(6-hydroxy-pyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (M5; which exists also as a pyridon-5-yl tautomer).

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5c88a70e4b084ec2818db28d4e4ac0eb
来源数据集: uspto-grants-2014_04
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08697730B2
来源说明: uspto-grants-2014_04

反应SMILES

[C:1]([S:5][C:6]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([O:15][CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=3)[CH:13]=2)[N:8]([CH2:23][C:24]2[CH:29]=[CH:28][C:27]([C:30]3[CH:31]=[N:32][C:33]([O:36][CH3:37])=[CH:34][CH:35]=3)=[CH:26][CH:25]=2)[C:7]=1[CH2:38][C:39]([CH3:44])([CH3:43])[C:40]([OH:42])=[O:41])([CH3:4])([CH3:3])[CH3:2].C(SC1C2C(=CC=C([O:59]CC3C=CC=CN=3)C=2)N(CC2C=CC(C3C=NC(O)=CC=3)=CC=2)C=1CC(C)(C)C(O)=O)(C)(C)C>>[CH3:37][O:36][C:33]1[N:32]=[CH:31][C:30]([C:27]2[CH:28]=[CH:29][C:24]([CH2:23][N:8]3[C:9]4[C:14](=[CH:13][C:12]([O:15][CH2:16][C:17]5[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=5)=[CH:11][CH:10]=4)[C:6]([S:5]([C:1]([CH3:4])([CH3:2])[CH3:3])=[O:59])=[C:7]3[CH2:38][C:39]([CH3:44])([CH3:43])[C:40]([OH:42])=[O:41])=[CH:25][CH:26]=2)=[CH:35][CH:34]=1