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

HRID 2325723

반응식

HRID 2325723 반응식
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][C:46](=[O:47])[OH:48].[Cl:15][c:16]1[n:17][c:18](-[n:28]2[c:29]([CH:37]([F:38])[F:39])[n:30][c:31]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[n:19][c:20]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[n:21]1.[Li:10][CH2:11][CH2:12][CH2:13][CH3:14].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[O:8][CH3:9].[OH2:49]>>[NH:1]([c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[O:8][CH3:9])[c:16]1[n:17][c:18](-[n:28]2[c:29]([CH:37]([F:38])[F:39])[n:30][c:31]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[n:19][c:20]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[n:21]1

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 52003433-Amino-4-methoxypyridineHCID 220368724-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholineHCID 178418339Butyllithium

생성물 1

HCID 581027904-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-N-(4-methoxy-3-pyridinyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine

출처 및 근거

ORD 기록
ord-60e36cd9365742fb8cebea5e846c2645
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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