Dimethylformamide → Apd-668

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 7917Isopropyl chloroformate

HCID 218975531-(2-fluoro-4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine

생성물 1

HCID 11705608Apd-668

출처 및 근거

ORD 기록: ord-4ad42f191d3f454a9950df4b06c79da6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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