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

Methanol → (+/-)-9-(3,5-bis-trifluoromethyl-benzylamino)-2,3,6,7,8,9-hexahydro-1H-5-aza-cyclohepta[f]indene-5-carboxylic acid isopropyl ester

HRID 2147326
노트
인쇄 미리보기

반응식

HRID 2147326 반응식
[BH4-:38].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[CH3:57][OH:58].[CH:17]([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]1[CH2:24][CH2:25][CH2:26][C:27](=[O:37])[c:28]2[cH:29][c:30]3[c:34]([cH:35][c:36]21)[CH2:33][CH2:32][CH2:31]3.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH2:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16].[Na+:39].[Ti+4:44]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH:27]2[CH2:26][CH2:25][CH2:24][N:23]([C:21]([O:20][CH:17]([CH3:18])[CH3:19])=[O:22])[c:36]3[c:28]2[cH:29][c:30]2[c:34]([cH:35]3)[CH2:33][CH2:32][CH2:31]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 887MethanolHCID 923Sodium IonHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 5210993,5-Bis(trifluoromethyl)benzylamineHCID 3260420Isopropanolate4회HCID 593791389-oxo-2,3,6,7,8,9-hexahydro-1H-5-aza-cyclohepta[f]indene-5-carboxylic acid isopropyl ester

생성물 1

HCID 86615658(+/-)-9-(3,5-bis-trifluoromethyl-benzylamino)-2,3,6,7,8,9-hexahydro-1H-5-aza-cyclohepta[f]indene-5-carboxylic acid isopropyl ester

출처 및 근거

ORD 기록
ord-83af6a259f4649b7b9bd15c1fa7d4f9b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트