HRID879484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc2nc(-c3ccc4c(c3)c(N3CCN(C)CC3)nn4C)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

HCID72196116

未命名化合物

HCID86700299

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(-c3ccc4c(c3)c(N(C)C)nn4C)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

HCID86700298

未命名化合物

PROCEDURE

实验过程

Prepared in a similar manner as (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetic acid, except using 5-bromo-N,N,1-trimethyl-1H-indazol-3-amine instead of 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-1H-indazole. LCMS-ESI+: calc'd for C30H31ClN4O3S: 563.2, 565.2 (M+H+); Found: 563.2, 565.2 (M+H+). 1H NMR (400 MHz, CD3OD): δ 8.49 (s, 1H), 7.96 (dd, J=8.9, 1.5 Hz, 1H), 7.78 (s, 1H), 7.74-7.64 (m, 1H), 7.62-7.52 (m, 3H), 7.41 (d, J=8.9 Hz, 1H), 5.25 (s, 1H), 3.86 (s, 3H), 3.16 (s, 6H), 2.60 (s, 3H), 0.97 (s, 9H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39edee37bf4d43798762af7857280118
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08987250B2
来源说明: uspto-grants-2015_03

反应 SMILES

[C:1]([O:5][C@@H:6]([C:10]1[C:35]([CH3:36])=[CH:34][C:13]2[N:14]=[C:15]([C:17]3[CH:18]=[C:19]4[C:23](=[CH:24][CH:25]=3)[N:22]([CH3:26])[N:21]=[C:20]4[N:27]3[CH2:32]CN(C)C[CH2:28]3)[S:16][C:12]=2[C:11]=1[C:37]1[CH:42]=[CH:41][C:40]([Cl:43])=[CH:39][CH:38]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].BrC1C=C2C(=CC=1)N(C)N=C2N(C)C>>[C:1]([O:5][C@@H:6]([C:10]1[C:35]([CH3:36])=[CH:34][C:13]2[N:14]=[C:15]([C:17]3[CH:18]=[C:19]4[C:23](=[CH:24][CH:25]=3)[N:22]([CH3:26])[N:21]=[C:20]4[N:27]([CH3:32])[CH3:28])[S:16][C:12]=2[C:11]=1[C:37]1[CH:42]=[CH:41][C:40]([Cl:43])=[CH:39][CH:38]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:2])[CH3:3]