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

Toluene → 1-(Methylcarbamoyl)-3-[(4-chlorophenyl)thio]-azacycloheptan-2-one

HRID 302150
노트
인쇄 미리보기

반응식

HRID 302150 반응식
[C:21]([O-:22])(=[O:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[C:35]([O-:36])(=[O:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH2:49]([Sn+2:50][CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:17][N:18]=[C:19]=[O:20].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH:9]2[C:10](=[O:16])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][CH:9]2[C:10](=[O:16])[N:11]([C:19]([NH:18][CH3:17])=[O:20])[CH2:12][CH2:13][CH2:14][CH2:15]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 1140TolueneHCID 12228Methyl IsocyanateHCID 4149208Dodecanoate2회HCID 9543249(Dibutyl)stannaneHCID 132689043-[(4-Chlorophenyl)thio]-azacycloheptan-2-one

생성물 1

HCID 204480031-(Methylcarbamoyl)-3-[(4-chlorophenyl)thio]-azacycloheptan-2-one

출처 및 근거

ORD 기록
ord-17468ebf97ee4a34ab7f5328f403dd6e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트