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Dimethyl Sulfoxide → N-{6-[Acetyl(methyl)amino]pyridin-3-yl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

HRID 1239372
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HRID 1239372 반응식
[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([O:13][CH2:14][C:15]([Cl:16])([Cl:17])[Cl:18])=[O:19])[cH:9][n:10]1)[CH3:20].[CH3:47][S:48]([CH3:49])=[O:50].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[OH2:51].[c:21]1(-[c:27]2[n:28][s:29][c:30]([N:32]3[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]3)[n:31]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:19])[N:35]2[CH2:34][CH2:33][N:32]([c:30]3[s:29][n:28][c:27](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[n:31]3)[CH2:37][CH2:36]2)[cH:9][n:10]1)[CH3:20]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 27777601-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazineHCID 866254922,2,2-Trichloroethyl {6-[acetyl(methyl)amino]pyridin-3-yl}carbamate

생성물 1

HCID 68779931N-{6-[Acetyl(methyl)amino]pyridin-3-yl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

출처 및 근거

ORD 기록
ord-8ca3c4a13f8a44df8876f1a5049dd9a4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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