Dimethylformamide → Methyl 4-cyano-2-(1-ethylpyrazol-4-yl)-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyridine-3-carboxylate

HRID 284261

반응식

HRID 284261 반응식
[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl:1][c:2]1[n:3][c:4](-[c:14]2[cH:15][n:16][n:17]([CH2:19][CH3:20])[cH:18]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1.[NH2:30][CH:31]1[CH:32]([NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:33][CH2:34][CH2:35][CH2:36]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[c:2]1([NH:30][CH:31]2[CH:32]([NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:33][CH2:34][CH2:35][CH2:36]2)[n:3][c:4](-[c:14]2[cH:15][n:16][n:17]([CH2:19][CH3:20])[cH:18]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1

참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 3268011tert-Butyl (2-aminocyclohexyl)carbamateHCID 58317713Methyl 6-chloro-4-cyano-2-(1-ethyl-1H-pyrazol-4-yl)nicotinate

생성물 1

HCID 77252981Methyl 4-cyano-2-(1-ethylpyrazol-4-yl)-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyridine-3-carboxylate

출처 및 근거

ORD 기록
ord-cb1bbb248c46432c8401d9ed693752c9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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