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Acetic Acid → 4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-N-(6-fluoro-3-pyridinyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine

HRID 188189
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HRID 188189 반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:46][C:47](=[O:48])[OH:49].[Cl:14][c:15]1[n:16][c:17](-[n:27]2[c:28]([CH:38]([F:39])[F:40])[n:29][c:30]3[c:31]2[cH:32][cH:33][cH:34][c:35]3[O:36][CH3:37])[n:18][c:19]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[n:20]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:8])[n:6][cH:7]1.[OH2:50]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([F:8])[n:6][cH:7]1)[c:15]1[n:16][c:17](-[n:27]2[c:28]([CH:38]([F:39])[F:40])[n:29][c:30]3[c:31]2[cH:32][cH:33][cH:34][c:35]3[O:36][CH3:37])[n:18][c:19]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[n:20]1
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반응물 6

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8194405-Amino-2-fluoropyridineHCID 534881021-[4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-4-methoxy-1H-benzimidazoleHCID 178418339Butyllithium

생성물 1

HCID 58102806
4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-N-(6-fluoro-3-pyridinyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine

출처 및 근거

ORD 기록
ord-3b154f74733d42d0a4a418bf95063a93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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