HRID889196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19603279

6-(Acetylamino)-3-pyridinepropanoic acid

C10H12N2O3

结构：COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1Cc1ccccn1

HCID66760385

未命名化合物

结构：COCCNC(=O)c1ccc(CCC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c3nc(OC)n4Cc3ccccn3)c2Cl)cc1

HCID66760978

未命名化合物

PRODUCTS

生成物

结构：COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CCc4ccc(NC(C)=O)nc4)c3Cl)cccc2n1Cc1ccccn1

HCID66760188

未命名化合物

PROCEDURE

实验过程

Compound 32 is prepared 2-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide and 3-(6-acetamidopyridin-3-yl)propanoic acid as described for compound 1. MS (APCI) 690 (M+), 1H NMR 2.18 (s, 3H), 2.49 (t, 2H, J=7.4 Hz), 2.89 (t, 2H, J=7.4 Hz), 3.32 (s, 3H), 3.4-3.55 (m, 1H), 3.7-3.82 (m, 1H), 4.21 (s, 3H), 5.28 (s, 2H), 5.66 (s, 2H), 6.45-6.52 (m, 1H), 6.81 (t, 2H, J=8.2 Hz), 6.92 (d, 1H, J=7.86 Hz), 7.01-7.06 (m, 1H), 7.17-7.19 (m 1H), 7.4-7.6 (m, 4H), 7.9-7.95 (m, 1H), 8.06-8.09 (m, 2H), 8.55-8.59 (m, 1H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5afa07ff62f540eeb42ca378d0c1c35f
来源数据集: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08252793B2
来源说明: uspto-grants-2012_08

反应 SMILES

[NH2:1][CH2:2][C:3]([N:5]([C:7]1[CH:12]=[CH:11][C:10]([Cl:13])=[C:9]([CH2:14][O:15][C:16]2[C:24]3[N:23]=[C:22]([O:25][CH3:26])[N:21]([CH2:27][C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][N:29]=4)[C:20]=3[CH:19]=[CH:18][CH:17]=2)[C:8]=1[Cl:34])[CH3:6])=[O:4].[C:35]([NH:38][C:39]1[N:44]=[CH:43][C:42]([CH2:45][CH2:46][C:47](O)=[O:48])=[CH:41][CH:40]=1)(=[O:37])[CH3:36].ClC1C(COC2C3N=C(OC)N(CC4C=CC=CN=4)C=3C=CC=2)=C(Cl)C=CC=1N(C)C(=O)CNC(=O)CCC1C=CC(C(NCCOC)=O)=CC=1>>[C:35]([NH:38][C:39]1[N:44]=[CH:43][C:42]([CH2:45][CH2:46][C:47]([NH:1][CH2:2][C:3]([N:5]([C:7]2[CH:12]=[CH:11][C:10]([Cl:13])=[C:9]([CH2:14][O:15][C:16]3[C:24]4[N:23]=[C:22]([O:25][CH3:26])[N:21]([CH2:27][C:28]5[CH:33]=[CH:32][CH:31]=[CH:30][N:29]=5)[C:20]=4[CH:19]=[CH:18][CH:17]=3)[C:8]=2[Cl:34])[CH3:6])=[O:4])=[O:48])=[CH:41][CH:40]=1)(=[O:37])[CH3:36]