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Dimethyl Sulfoxide → 1-{[3,4-Bis(methyloxy)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-amine

HRID 2342032
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HRID 2342032 반응식
[CH3:15][C:16]([N:17]([CH2:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][n:24]2[c:25]3[c:26]([c:27]([O:28][CH3:29])[cH:30][cH:31][cH:32]3)[c:33]([NH:34][S:35]([c:36]3[s:37][c:38]([Cl:39])[cH:40][cH:41]3)(=[O:42])=[O:43])[n:44]2)[cH:45][cH:46]1)[C:47](=[O:48])[O-:49])([CH3:50])[CH3:51].[CH3:3][O:4][c:5]1[c:6]2[c:7]([NH2:14])[n:8][nH:9][c:10]2[cH:11][cH:12][cH:13]1.[CH3:64][S:65]([CH3:66])=[O:67].[Cl:52][CH2:53][c:54]1[cH:55][c:56]([O:62][CH3:63])[c:57]([O:60][CH3:61])[cH:58][cH:59]1.[K+:2].[OH-:1].[OH2:68]>>[CH3:3][O:4][c:5]1[c:6]2[c:7]([NH2:14])[n:8][n:9]([CH2:53][c:54]3[cH:55][c:56]([O:62][CH3:63])[c:57]([O:60][CH3:61])[cH:58][cH:59]3)[c:10]2[cH:11][cH:12][cH:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 81740Veratryl chlorideHCID 185260534-Methoxy-1H-indazol-3-amineHCID 866614021,1-dimethylethyl[(4-{[3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}phenyl)methyl]carbamate

생성물 1

HCID 580543971-{[3,4-Bis(methyloxy)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-amine

출처 및 근거

ORD 기록
ord-71428e950acc4668b789aaa3d7dcb4e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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