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Dimethyl Sulfoxide → 2-{8-[1-(2-Hydroxy-2-methyl-propyl)-1H-pyrazol-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino}-2-methyl-propan-1-ol

HRID 178562
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HRID 178562 반응식
[CH3:33][C:34]([OH:35])([CH3:36])[CH2:37][n:38]1[cH:39][c:40]([B:41]2[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]2)[cH:50][n:51]1.[CH3:52][S:53]([CH3:54])=[O:55].[OH:1][C:2]([CH2:3][n:4]1[n:5][cH:6][c:7](-[c:9]2[cH:10][c:11]3[c:12]([cH:29][cH:30]2)-[c:13]2[n:14][c:15]([N:21]4[C:22](=[O:28])[O:23][CH2:24][C:25]4([CH3:26])[CH3:27])[s:16][c:17]2[CH2:18][CH2:19][O:20]3)[cH:8]1)([CH3:31])[CH3:32]>>[OH:1][C:2]([CH2:3][n:4]1[n:5][cH:6][c:7](-[c:9]2[cH:10][c:11]3[c:12]([cH:29][cH:30]2)-[c:13]2[n:14][c:15]([NH:21][C:25]([CH2:24][OH:23])([CH3:26])[CH3:27])[s:16][c:17]2[CH2:18][CH2:19][O:20]3)[cH:8]1)([CH3:31])[CH3:32]
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참가 물질

4

반응물 3

HCID 679Dimethyl SulfoxideHCID 582037243-{8-[1-(2-Hydroxy-2-methyl-propyl)-1H-pyrazol-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl}-4,4-dimethyl-oxazolidin-2-oneHCID 582041312-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol

생성물 1

HCID 582038052-{8-[1-(2-Hydroxy-2-methyl-propyl)-1H-pyrazol-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino}-2-methyl-propan-1-ol

출처 및 근거

ORD 기록
ord-8834112f16a64fa385164daa49f50338
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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