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

1,2-Dichloroethane → 5-fluoro-2-[1-(2-chloroethyl)-5,6-dimethoxy-1H-indol-3-yl]-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

HRID 696786
노트
인쇄 미리보기

반응식

HRID 696786 반응식
[Br-:47].[C:36](=[O:37])([O-:38])[O-:39].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:14]3[cH:15][c:16]4[c:17]([n:18][cH:19][c:20]([F:22])[cH:21]4)[n:23]3[S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)[cH:7][nH:8][c:9]2[cH:10][c:11]1[O:12][CH3:13].[CH3:42][OH:43].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[Cl:44][CH2:45][Cl:46].[Cl:65][CH2:66][CH2:67][Cl:68].[K+:35].[K+:40].[K+:41].[OH-:34]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:14]3[cH:15][c:16]4[c:17]([n:18][cH:19][c:20]([F:22])[cH:21]4)[n:23]3[S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)[cH:7][n:8]([CH2:42][CH2:45][Cl:46])[c:9]2[cH:10][c:11]1[O:12][CH3:13]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 111,2-DichloroethaneHCID 259Bromide ionHCID 813Potassium Cation3회HCID 887MethanolHCID 961HydroxideHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 19660Carbonate Ion
HCID 671475792-(5,6-dimethoxy-1H-indol-3-yl)-5-fluoro-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

생성물 1

HCID 671475755-fluoro-2-[1-(2-chloroethyl)-5,6-dimethoxy-1H-indol-3-yl]-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

출처 및 근거

ORD 기록
ord-e876bf26bdd84ad5a38a25c862db2a93
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