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

Hydrochloric Acid → 3-{3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl}-1,3-dihydro-5-methyl-1-(1-methylethenyl)-2H-benzimidazol-2-one

HRID 2318278
노트
인쇄 미리보기

반응식

HRID 2318278 반응식
[CH3:44][CH:45]([CH3:46])[CH2:47][C:48](=[O:49])[CH3:50].[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:18])[n:7]([C:15](=[CH2:16])[CH3:17])[c:8]2[c:9]1[cH:10][c:11]([CH3:14])[cH:12][cH:13]2.[ClH:19].[F:20][c:21]1[cH:22][cH:23][c:24]([C:27](=[O:28])[CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:25][cH:26]1.[I-:42].[K+:41].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:43]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:18])[n:7]([C:15](=[CH2:16])[CH3:17])[c:8]2[c:9]1[cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[N:32]1[CH2:31][CH2:30][CH:29]([C:27]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)=[O:28])[CH2:34][CH2:33]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium Ion2회HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 2724440
4-(4-Fluorobenzoyl)piperidine
HCID 205063153-(3-chloropropyl)-1,3-dihydro-5-methyl-1-(1-methylethenyl)-2H-benzimidazol-2-one

생성물 1

HCID 214248083-{3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl}-1,3-dihydro-5-methyl-1-(1-methylethenyl)-2H-benzimidazol-2-one

출처 및 근거

ORD 기록
ord-5ebbcbc068b8481b8273871205c45180
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트