1,3,5-trimethyl-1H-pyrazol-4-amine → [8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(1,3,5-trimethyl-1H-pyrazol-4-yl)-amine

HRID 319657

반응식

HRID 319657 반응식
[CH3:21][n:22]1[n:23][c:24]([CH3:29])[c:25]([NH2:28])[c:26]1[CH3:27].[CH:30]1([P:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[C:38]2([P:39]([CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]3)[CH:46]3[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]3)[CH2:52][CH:53]=[CH:54][CH:55]=[C:56]2[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6](-[c:10]3[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]3)[cH:7][cH:8][cH:9]2)[n:20]1>>[c:2]1([NH:28][c:25]2[c:24]([CH3:29])[n:23][n:22]([CH3:21])[c:26]2[CH3:27])[n:3][n:4]2[c:5]([c:6](-[c:10]3[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]3)[cH:7][cH:8][cH:9]2)[n:20]1

참가 물질

4

반응물 3

HCID 1616031,3,5-trimethyl-1H-pyrazol-4-amineHCID 674814372-Chloro-8-(4-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridineHCID 866483582,2-Bis-dicyclohexylphosphanyl-biphenyl

생성물 1

HCID 67481484[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(1,3,5-trimethyl-1H-pyrazol-4-yl)-amine

출처 및 근거

ORD 기록
ord-8fc7d2ea291543209118143628a3fb7f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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