Citric Acid → 2-[2-(1-tert-Butoxycarbonylpiperidin-4-yloxy)-4-(3-hydroxy-pyrrolidin-1-yl)benzoylamino]-N-(5-chloropyridin-2-yl)benzamide

HRID 143924

반응식

HRID 143924 반응식
[F:14][c:15]1[cH:16][c:17]([O:40][CH:41]2[CH2:42][CH2:43][N:44]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[CH2:45][CH2:46]2)[c:18]([C:19](=[O:20])[NH:21][c:22]2[c:23]([C:24](=[O:25])[NH:26][c:27]3[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1.[OH:1][C:2]([CH2:3][C:4]([C:5](=[O:6])[OH:7])([CH2:8][C:9](=[O:10])[OH:11])[OH:12])=[O:13].[OH:54][CH:55]1[CH2:56][NH:57][CH2:58][CH2:59]1>>[c:15]1([N:57]2[CH2:56][CH:55]([OH:54])[CH2:59][CH2:58]2)[cH:16][c:17]([O:40][CH:41]2[CH2:42][CH2:43][N:44]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[CH2:45][CH2:46]2)[c:18]([C:19](=[O:20])[NH:21][c:22]2[c:23]([C:24](=[O:25])[NH:26][c:27]3[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1

참가 물질

4

반응물 3

HCID 311Citric AcidHCID 982104-HydroxypyrrolidineHCID 685302072-[4-Fluoro-2-(1-tert-butoxycarbonylpiperidin-4-yloxy)benzoylamino]-N-(5-chloropyridin-2-yl)benzamide

생성물 1

HCID 685339762-[2-(1-tert-Butoxycarbonylpiperidin-4-yloxy)-4-(3-hydroxy-pyrrolidin-1-yl)benzoylamino]-N-(5-chloropyridin-2-yl)benzamide

출처 및 근거

ORD 기록
ord-016d4ee05c8a4d94b242e9af31298a29
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…