Dichloromethane → 3-(1-(4-aminophenyl)-1H-1,2,3-triazol-4-yl)-5-(4-(ethylsulfonyl)piperazin-1-yl)pyrazin-2-amine

반응식

[C:1]([O:2][C:3]([N:8]([C:4](=[O:5])[O:6][C:7]([CH3:9])([CH3:10])[CH3:11])[c:16]1[n:17][cH:18][c:19]([N:34]2[CH2:35][CH2:36][N:37]([S:40](=[O:41])(=[O:42])[CH2:43][CH3:44])[CH2:38][CH2:39]2)[n:20][c:21]1-[c:22]1[n:23][n:24][n:25](-[c:27]2[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[cH:26]1)=[O:12])([CH3:13])([CH3:14])[CH3:15].[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[NH2:8][c:16]1[n:17][cH:18][c:19]([N:34]2[CH2:35][CH2:36][N:37]([S:40](=[O:41])(=[O:42])[CH2:43][CH3:44])[CH2:38][CH2:39]2)[n:20][c:21]1-[c:22]1[n:23][n:24][n:25](-[c:27]2[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[cH:26]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 66745858HCID 66745858, 화합물

생성물 1

HCID 667450253-(1-(4-aminophenyl)-1H-1,2,3-triazol-4-yl)-5-(4-(ethylsulfonyl)piperazin-1-yl)pyrazin-2-amine

출처 및 근거

ORD 기록: ord-54f9c3a2a6e642139cc88c1b194e8402
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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