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Water → HCID 76687048, 화합물

HRID 2327430
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HRID 2327430 반응식
[C:42](=[O:43])([O-:44])[O-:45].[Cs+:46].[Cs+:47].[F:13][c:14]1[c:15]([O:40][CH3:41])[cH:16][c:17]([NH:21][c:22]2[n:23][cH:24][c:25]([CH3:39])[c:26]([NH:28][c:29]3[cH:30][cH:31][c:32]4[c:33]([nH:34][c:35](=[O:37])[o:36]4)[cH:38]3)[n:27]2)[cH:18][c:19]1[CH3:20].[F:6][C:7]([F:8])([F:9])[C:10]([OH:11])=[O:12].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:63].[P:48](=[O:49])([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[O:60][CH2:61][Cl:62]>>[F:13][c:14]1[c:15]([O:40][CH3:41])[cH:16][c:17]([NH:21][c:22]2[n:23][cH:24][c:25]([CH3:39])[c:26]([NH:28][c:29]3[cH:30][cH:31][c:32]4[c:33]([n:34]([CH2:61][O:60][P:48](=[O:49])([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[c:35](=[O:37])[o:36]4)[cH:38]3)[n:27]2)[cH:18][c:19]1[CH3:20]
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8

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HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 11701630Di-tert-butyl (chloromethyl) phosphateHCID 468516252(3H)-Benzoxazolone, 5-[[2-[(4-fluoro-3-methoxy-5-methylphenyl)amino]-5-methyl-4-pyrimidinyl]amino]-

생성물 1

HCID 76687048HCID 76687048, 화합물

출처 및 근거

ORD 기록
ord-59e59bf0369541b48bc0b7a17ae04e93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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