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Dimethyl Sulfoxide → 5-(5-Isopropyl-2,4-bis-methoxymethoxyphenyl)-4-[4-(4-methylpiperazin-1-ylmethyl)phenyl]-2,4-dihydro-[1,2,4]triazol-3-one

HRID 837817
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인쇄 미리보기

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HRID 837817 반응식
[CH3:43][S:44]([CH3:45])=[O:46].[CH:3]([CH3:4])([CH3:5])[c:6]1[c:7]([O:39][CH2:40][O:41][CH3:42])[cH:8][c:9]([O:35][CH2:36][O:37][CH3:38])[c:10](-[c:12]2[n:13][n:14][c:15]([S:31]([CH3:32])(=[O:33])=[O:34])[n:16]2-[c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:21][cH:22]2)[cH:11]1.[Na+:2].[OH-:1]>>[O:1]=[c:15]1[nH:14][n:13][c:12](-[c:10]2[c:9]([O:35][CH2:36][O:37][CH3:38])[cH:8][c:7]([O:39][CH2:40][O:41][CH3:42])[c:6]([CH:3]([CH3:4])[CH3:5])[cH:11]2)[n:16]1-[c:17]1[cH:18][cH:19][c:20]([CH2:23][N:24]2[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]2)[cH:21][cH:22]1
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참가 물질

5

반응물 4

HCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 961HydroxideHCID 598298563-(5-Isopropyl-2,4-bis-methoxymethoxyphenyl)-4-[4-(4-methylpiperazin-1-ylmethyl)phenyl]-5-methanesulfonyl-[1,2,4]triazole

생성물 1

HCID 598298715-(5-Isopropyl-2,4-bis-methoxymethoxyphenyl)-4-[4-(4-methylpiperazin-1-ylmethyl)phenyl]-2,4-dihydro-[1,2,4]triazol-3-one

출처 및 근거

ORD 기록
ord-427510419d9b442183e57495a043377b
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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