Acetic Acid → 1-[6-(2,6-Dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea

HRID 1541527

반응식

HRID 1541527 반응식
[C:36]([OH:37])(=[O:38])[CH3:39].[CH2:31]([CH3:32])[N:33]=[C:34]=[O:35].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[n:15][cH:16]3)[n:28][c:29]2[NH2:30])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]4)[n:15][cH:16]3)[n:28][c:29]2[NH:30][C:34]([NH:33][CH2:31][CH3:32])=[O:35])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 176Acetic AcidHCID 8022Ethyl isocyanateHCID 53281486-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine

생성물 1

HCID 53281531-[6-(2,6-Dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-3-ethylurea

출처 및 근거

ORD 기록
ord-ee328dca841f484da9e365abf696d960
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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