HRID879545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86700367

未命名化合物

结构：Cc1cc2nc(-c3cnc(C)c(-c4ccc5c(cnn5C)c4)c3)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

HCID86700368

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)cnc3C)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

HCID72194235

未命名化合物

PROCEDURE

实验过程

(S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(2-methyl-5-(1-methyl-1H-indazol-5-yl)pyridin-3-yl)benzo[d]thiazol-6-yl)acetic acid was prepared in a similar manner as (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(6-methyl-5-(1-methyl-1H-indazol-5-yl)pyridin-3-yl)benzo[d]thiazol-6-yl)acetic acid except using 5-(5-bromo-6-methylpyridin-3-yl)-1-methyl-1H-indazole instead of 5-(5-bromo-2-methylpyridin-3-yl)-1-methyl-1H-indazole. LCMS-ESI+: calc'd for C34H32ClN4O3S: 611.2 (M+H+); Found: 611.2 (M+H+). 1H NMR (400 MHz, CD3OD): δ 9.00 (s, 1H), 8.77 (s, 1H), 8.20 (s, 1H), 8.12 (s, 1H), 7.98 (s, 1H), 7.84 (m, 1H), 7.72 (m, 2H), 7.60 (m, 3H), 5.28 (s, 1H), 4.11 (s, 3H), 3.00 (s, 3H), 2.64 (s, 3H), 0.98 (s, 9H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab408399561e4c37bd2691a2fe89a276
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]=[N:19][C:20](C)=[C:21]([C:23]4[CH:24]=[C:25]5[C:29](=[CH:30][CH:31]=4)[N:28]([CH3:32])[N:27]=[CH:26]5)[CH:22]=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].Br[C:45]1C=C(C2C=C3C(=CC=2)N(C)N=C3)C=NC=1C>>[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[C:18]([CH3:45])=[N:19][CH:20]=[C:21]([C:23]4[CH:24]=[C:25]5[C:29](=[CH:30][CH:31]=4)[N:28]([CH3:32])[N:27]=[CH:26]5)[CH:22]=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])([CH3:2])[CH3:3]