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

Acetic Acid → methyl 14-cyclohexyl-7-[[2-(dimethylamino)ethyl](methyl)amino]-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylate

HRID 295585
노트
인쇄 미리보기

반응식

HRID 295585 반응식
[C:42]([BH3-:43])#[N:44].[CH2:36]=[O:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:32](=[O:33])[O:34][CH3:35])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][cH:24][cH:23][cH:22]2)[O:18][CH2:17][CH:16]([NH:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31])[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:48][CH2:49][Cl:50].[Na+:45].[Na+:47].[OH-:46]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:32](=[O:33])[O:34][CH3:35])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][cH:24][cH:23][cH:22]2)[O:18][CH2:17][CH:16]([N:26]([CH2:27][CH2:28][N:29]([CH3:30])[CH3:31])[CH3:38])[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium Ion2회HCID 961HydroxideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 498716Cyano-borohydride
HCID 68508425
methyl 14-cyclohexyl-7-{[2-(dimethylamino)ethyl]amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylate

생성물 1

HCID 68509901methyl 14-cyclohexyl-7-[[2-(dimethylamino)ethyl](methyl)amino]-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylate

출처 및 근거

ORD 기록
ord-a342176c0cfc4fe287a815263c672cc4
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