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

Acetic Acid → methyl 5-bromo-2-methyl-3-((tetrahydro-2H-thiopyran-4-yl)amino)benzoate

HRID 703029
노트
인쇄 미리보기

반응식

HRID 703029 반응식
[C:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[CH3:21][C:22](=[O:23])[OH:24].[Cl:44][CH:45]([Cl:46])[CH3:47].[NH2:1][c:2]1[c:3]([CH3:13])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Br:12])[cH:11]1.[Na+:38].[Na+:43].[O-:39][C:40]([OH:41])=[O:42].[S:14]1[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]1>>[NH:1]([c:2]1[c:3]([CH3:13])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Br:12])[cH:11]1)[CH:17]1[CH2:16][CH2:15][S:14][CH2:19][CH2:18]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 63651,1-DichloroethaneHCID 66173Tetrahydrothiopyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 24729181Methyl 3-Amino-5-bromo-2-methylbenzoate

생성물 1

출처 및 근거

ORD 기록
ord-b6ae264ab9944a39b1b30519bab2f2a7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트
HCID 70872555
methyl 5-bromo-2-methyl-3-((tetrahydro-2H-thiopyran-4-yl)amino)benzoate