HRID1800861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID99718

N-tert-Butoxycarbonyl-L-aspartic acid

C9H15NO6

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccccc5)CCNCC4)c3F)s2)c1

HCID25032856

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccccc5)CCN(C(=O)[C@@H](N)CC(=O)O)CC4)c3F)s2)c1

HCID59321448

未命名化合物

PROCEDURE

实验过程

Following the procedure given for example 94, 3-fluoro-4-(2-(4-methylpyridin-2-ylamino)thiazol-5-ylthio)-N-((4-phenylpiperidin-4-yl)methyl)picolinamide (compound example 11) was reacted with (S)-2-(tert-butoxycarbonylamino)succinic acid give the title compound. LC/MS (M+H)+: 650. Ret. time: 1.12 min. (Condition G); analytical HPLC Ret. time: 6.33 min (Condition Q).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fea192bec6f4d3b81e6bb05d65103dd
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08343999B2
来源说明: uspto-grants-2013_01

反应 SMILES

[F:1][C:2]1[C:3]([C:22]([NH:24][CH2:25][C:26]2([C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=3)[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]2)=[O:23])=[N:4][CH:5]=[CH:6][C:7]=1[S:8][C:9]1[S:13][C:12]([NH:14][C:15]2[CH:20]=[C:19]([CH3:21])[CH:18]=[CH:17][N:16]=2)=[N:11][CH:10]=1.C(OC([NH:45][C@@H:46]([CH2:50][C:51]([OH:53])=[O:52])[C:47](O)=[O:48])=O)(C)(C)C>>[NH2:45][C@H:46]([C:47]([N:29]1[CH2:28][CH2:27][C:26]([CH2:25][NH:24][C:22](=[O:23])[C:3]2[C:2]([F:1])=[C:7]([S:8][C:9]3[S:13][C:12]([NH:14][C:15]4[CH:20]=[C:19]([CH3:21])[CH:18]=[CH:17][N:16]=4)=[N:11][CH:10]=3)[CH:6]=[CH:5][N:4]=2)([C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=2)[CH2:31][CH2:30]1)=[O:48])[CH2:50][C:51]([OH:53])=[O:52]