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

Acetic Acid → 1-[(3-{2-[3-Cyano-4-(2-methylpropyl)phenyl]-1,3-thiazol-5-yl}-2-ethylphenyl)methyl]-3-azetidinecarboxylic acid

HRID 1551559
노트
인쇄 미리보기

반응식

HRID 1551559 반응식
[C:35]([BH3-:36])#[N:37].[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([CH2:24][CH:25]([CH3:26])[CH3:27])[c:20]([C:21]#[N:22])[cH:23]3)[s:15]2)[cH:5][cH:6][cH:7][c:8]1[CH:9]=[O:10].[CH2:39]=[O:40].[CH3:41][CH2:42][OH:43].[CH3:44][C:45](=[O:46])[OH:47].[NH:28]1[CH2:29][CH:30]([C:32](=[O:33])[OH:34])[CH2:31]1.[Na+:38]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([CH2:24][CH:25]([CH3:26])[CH3:27])[c:20]([C:21]#[N:22])[cH:23]3)[s:15]2)[cH:5][cH:6][cH:7][c:8]1[CH2:9][N:28]1[CH2:29][CH:30]([C:32](=[O:33])[OH:34])[CH2:31]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 702EthanolHCID 712FormaldehydeHCID 923Sodium IonHCID 931923-azetidinecarboxylic AcidHCID 498716Cyano-borohydrideHCID 866590095-[5-(2-Ethyl-3-formylphenyl)-1,3-thiazol-2-yl]-2-(2-methylpropyl)benzonitrile

생성물 1

HCID 545771591-[(3-{2-[3-Cyano-4-(2-methylpropyl)phenyl]-1,3-thiazol-5-yl}-2-ethylphenyl)methyl]-3-azetidinecarboxylic acid

출처 및 근거

ORD 기록
ord-d98645ed5ed648b482716177f2235d92
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트