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

Acetic Acid → methyl 2,2-dimethyl-3-[4-(7-methyl-2-(methylsulfanyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-propanoate

HRID 1132347
노트
인쇄 미리보기

반응식

HRID 1132347 반응식
[CH3:1][c:2]1[cH:3][cH:4][c:5]([N+:20]([O-:16])=[O:17])[c:6]([CH2:7][n:8]2[c:9]([C:15]([O:18][CH3:21])=[O:22])[cH:10][c:11]([S:13][CH3:14])[cH:12]2)[cH:19]1.[CH3:23][C:24](=[O:25])[OH:26].[CH3:29][C:30]([C:31](=[O:32])[O:33][CH3:34])([CH2:35][N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[CH3:42].[ClH:27].[ClH:28].[Fe:44].[OH2:43]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[CH2:7][n:8]1[c:9]([cH:10][c:11]([S:13][CH3:14])[cH:12]1)[C:15]([N:39]1[CH2:38][CH2:37][N:36]([CH2:35][C:30]([CH3:29])([C:31](=[O:32])[O:33][CH3:34])[CH3:42])[CH2:41][CH2:40]1)=[N:20]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 313Hydrochloric Acid2회HCID 962WaterHCID 23925IronHCID 22120220HCID 22120220, 화합물HCID 68155874methyl 1-(5-methyl-2-nitrobenzyl)-4-(methylsulfanyl)-1H-pyrrole-2-carboxylate

생성물 1

HCID 68156150
methyl 2,2-dimethyl-3-[4-(7-methyl-2-(methylsulfanyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-propanoate

출처 및 근거

ORD 기록
ord-6c3bd7118c124e4ca57588c853dda0e2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트