Piperidine-1-propylamine → N-(2-t-butoxycarbonylaminophenyl)-4-{2-[(3-piperidin-1-ylpropyl)amino]pyrimidin-4-yl}benzamide

HRID 97909

반응식

HRID 97909 반응식
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[NH:18][c:19]1[c:20]([NH:25][C:26]([c:27]2[cH:28][cH:29][c:30](-[c:33]3[n:34][c:35]([Cl:39])[n:36][cH:37][cH:38]3)[cH:31][cH:32]2)=[O:40])[cH:21][cH:22][cH:23][cH:24]1.[CH3:41][N:42]([CH3:43])[C:44](=[O:45])[CH3:46].[NH2:1][CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1>>[NH:1]([CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[c:35]1[n:34][c:33](-[c:30]2[cH:29][cH:28][c:27]([C:26]([NH:25][c:20]3[c:19]([NH:18][C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[cH:24][cH:23][cH:22][cH:21]3)=[O:40])[cH:32][cH:31]2)[cH:38][cH:37][n:36]1

참가 물질

4

반응물 3

HCID 19049Piperidine-1-propylamineHCID 31374DimethylacetamideHCID 86599911N-(2-t-butoxycarbonylaminophenyl)-4-(2-chloropyrimidin-4-yl)benzamide

생성물 1

HCID 68408293N-(2-t-butoxycarbonylaminophenyl)-4-{2-[(3-piperidin-1-ylpropyl)amino]pyrimidin-4-yl}benzamide

출처 및 근거

ORD 기록
ord-c5b92246c62c441ab9bcdd607d3796f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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