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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetic Acid → 1-(6-{[6-(4-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-[2-(4-oxidomorpholin-4-yl)ethyl]urea

HRID 830736
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인쇄 미리보기

반응식

HRID 830736 반응식
[CH3:52][C:53](=[O:54])[OH:55].[F:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([S:23][c:24]2[cH:25][c:26]4[c:27]([n:28][c:29]([NH:31][C:32](=[O:33])[NH:34][CH2:35][CH2:36][N:37]5[CH2:38][CH2:39][O:40][CH2:41][CH2:42]5)[s:30]4)[cH:43][cH:44]2)[n:21][n:22]3)[cH:12][cH:13]1.[I+3:45]([O-:46])([O-:47])([O-:48])[O-:49].[Na+:50].[Na:6].[O-:1][I+3:2]([O-:3])([O-:4])[O-:5].[OH2:51]>>[F:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([S:23][c:24]2[cH:25][c:26]4[c:27]([n:28][c:29]([NH:31][C:32](=[O:33])[NH:34][CH2:35][CH2:36][N+:37]5([O-:46])[CH2:38][CH2:39][O:40][CH2:41][CH2:42]5)[s:30]4)[cH:43][cH:44]2)[n:21][n:22]3)[cH:12][cH:13]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 962WaterHCID 167232Periodate2회HCID 5360545SodiumHCID 25182860Sar-125844

생성물 1

HCID 86762090
1-(6-{[6-(4-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-1,3-benzothiazol-2-yl)-3-[2-(4-oxidomorpholin-4-yl)ethyl]urea

출처 및 근거

ORD 기록
ord-77975e052c9c446993db3dfc7829f79d
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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