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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetic Acid → 1-{2-[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]ethyl}-3-azetidinecarboxylic acid

HRID 1123086
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인쇄 미리보기

반응식

HRID 1123086 반응식
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:37][C:38](=[O:39])[OH:40].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][c:21]4[c:22]([CH2:27][CH:28]=[O:29])[cH:23][n:24]([CH3:26])[c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Cl:55][CH2:56][Cl:57].[NH:30]1[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]1.[Na+:54]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][c:21]4[c:22]([CH2:27][CH2:28][N:30]5[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]5)[cH:23][n:24]([CH3:26])[c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6344DichloromethaneHCID 931923-azetidinecarboxylic AcidHCID 2724942TriacetoxyborohydrideHCID 59146184HCID 59146184, 화합물

생성물 1

HCID 44549034
1-{2-[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]ethyl}-3-azetidinecarboxylic acid

출처 및 근거

ORD 기록
ord-6957aa83b8754f3fb3f90463173b9a13
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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