홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Isopropanol → Isopropyl 2-methoxyethyl 4-(3-amino-2-chloro-phenyl)-1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylate

HRID 1114826
노트
인쇄 미리보기

반응식

HRID 1114826 반응식
[C:54]([O:55][CH:56]([O:57][CH3:58])[CH3:59])(=[O:60])[CH2:61][C:62]([CH3:63])=[O:64].[CH3:65][CH:66]([OH:67])[CH3:68].[Cl:1][c:2]1[c:3]([CH:11]2[C:12]([C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31])=[C:13]([CH3:25])[NH:14][C:15]([CH3:24])=[C:16]2[C:17](=[O:18])[O:19][CH2:20][CH2:21][O:22][CH3:23])[cH:4][cH:5][cH:6][c:7]1[N+:8]([O-:9])=[O:10].[Cl:32][c:33]1[c:34]([N+:35]([O-:36])=[O:37])[cH:38][cH:39][cH:40][c:41]1[CH:42]=[O:43].[NH2:44][C:45]([CH3:46])=[CH:47][C:48]([O:49][CH:50]([CH3:51])[CH3:52])=[O:53]>>[Cl:1][c:2]1[c:3]([CH:11]2[C:12]([C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31])=[C:13]([CH3:25])[NH:14][C:15]([CH3:24])=[C:16]2[C:17](=[O:18])[O:19][CH2:20][CH2:21][O:22][CH3:23])[cH:4][cH:5][cH:6][c:7]1[NH2:8]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 3776IsopropanolHCID 3271821Isopropyl3-aminocrotonateHCID 126677132-Chloro-3-nitrobenzaldehydeHCID 225745831-Methoxyethyl 3-oxobutanoateHCID 67785793Isopropyl 2-methoxy-ethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylate

생성물 1

HCID 20080473
Isopropyl 2-methoxyethyl 4-(3-amino-2-chloro-phenyl)-1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylate

출처 및 근거

ORD 기록
ord-19e6c899bb2441bc9b15a86e620b9497
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트