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

Ethanol → 7-[4-(2-butoxyethoxy)phenyl]-1-methyl-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 688047
노트
인쇄 미리보기

반응식

HRID 688047 반응식
[B:1]([O-:2])([O-:17])[O:18][c:3]1[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH2:15][CH3:16])[cH:7][cH:8]1.[Br:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:49]1)[CH:25]=[C:26]([C:31](=[O:32])[NH:33][c:34]1[cH:35][cH:36][c:37]([CH2:40][N:41]([CH:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[CH3:48])[cH:38][cH:39]1)[CH2:27][CH2:28][N:29]2[CH3:30].[C:50](=[O:51])([O-:52])[O-:53].[CH2:63]([OH:64])[CH3:65].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[K+:54].[K+:55].[OH2:66].[c:56]1([CH3:57])[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[c:3]1(-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:49]2)[CH:25]=[C:26]([C:31](=[O:32])[NH:33][c:34]2[cH:35][cH:36][c:37]([CH2:40][N:41]([CH:42]4[CH2:43][CH2:44][O:45][CH2:46][CH2:47]4)[CH3:48])[cH:38][cH:39]2)[CH2:27][CH2:28][N:29]3[CH3:30])[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH2:15][CH3:16])[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 813Potassium Cation2회HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 223290367-bromo-1-methyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzoazepine-4-carboxamide
HCID 86756815
4-Butoxyethoxyphenyl borate

생성물 1

HCID 30094037-[4-(2-butoxyethoxy)phenyl]-1-methyl-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

출처 및 근거

ORD 기록
ord-f124e5861db34494aad160c228775212
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