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

Ethanol → Methyl 7-[4-(1-pyrrolidinyl)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

HRID 837352
노트
인쇄 미리보기

반응식

HRID 837352 반응식
[B:19]([O-:20])([O-:32])[O:33][c:21]1[cH:22][cH:23][c:24]([N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:25][cH:26]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13].[C:34](=[O:35])([O-:36])[O-:37].[CH2:41]([OH:42])[CH3:43].[K+:38].[K+:39].[OH2:40].[c:44]1([CH3:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[c:2]1(-[c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)[cH:25][cH:26]2)[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 813Potassium Cation2회HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 21995732Methyl 7-bromo-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 867567734-(1-Pyrrolidinyl)phenyl borate

생성물 1

HCID 21995701Methyl 7-[4-(1-pyrrolidinyl)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

출처 및 근거

ORD 기록
ord-050ad09dbabf41309abe653c6da2d68f
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트