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Potassium Cation → N-Cyclopropyl-2-fluoro-4-methyl-5-{3-[(1-{2-[2-(methylamino)ethoxy]phenyl}cyclopropyl)amino]-2-oxopyrazin-1(2H)-yl}benzamide

HRID 1201372
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HRID 1201372 반응식
[CH3:36][NH2:37].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([C:11]2([NH:14][c:15]3[c:16](=[O:35])[n:17](-[c:21]4[c:22]([CH3:34])[cH:23][c:24]([F:33])[c:25]([C:26](=[O:27])[NH:28][CH:29]5[CH2:30][CH2:31]5)[cH:32]4)[cH:18][cH:19][n:20]3)[CH2:12][CH2:13]2)[cH:7][cH:8][cH:9][cH:10]1.[I-:39].[K+:38].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:40]>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([C:11]2([NH:14][c:15]3[c:16](=[O:35])[n:17](-[c:21]4[c:22]([CH3:34])[cH:23][c:24]([F:33])[c:25]([C:26](=[O:27])[NH:28][CH:29]5[CH2:30][CH2:31]5)[cH:32]4)[cH:18][cH:19][n:20]3)[CH2:12][CH2:13]2)[cH:7][cH:8][cH:9][cH:10]1)[NH:37][CH3:36]
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반응물 6

HCID 813Potassium CationHCID 962WaterHCID 6329MethylamineHCID 30165Iodide IonHCID 312751,4-DioxaneHCID 666892205-[3-({1-[2-(2-Chloroethoxy)phenyl]cyclopropyl}amino)-2-oxopyrazin-1(2H)-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide

생성물 1

HCID 66690397
N-Cyclopropyl-2-fluoro-4-methyl-5-{3-[(1-{2-[2-(methylamino)ethoxy]phenyl}cyclopropyl)amino]-2-oxopyrazin-1(2H)-yl}benzamide

출처 및 근거

ORD 기록
ord-1e7fe0577cc34abca36b6875fc7f4f5e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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