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Water → HCID 59553324, 화합물

HRID 1143426
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HRID 1143426 반응식
[CH3:51][O:52][C:53]([CH2:54][O:55][c:56]1[cH:57][cH:58][c:59]([NH2:66])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]12)=[O:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([N:11]2[CH2:12][CH2:13][CH:14]([CH3:17])[CH2:15][CH2:16]2)[cH:10]1.[OH2:73].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:66][c:59]2[cH:58][cH:57][c:56]([O:55][CH2:54][C:53]([O:52][CH3:51])=[O:67])[c:65]3[c:60]2[cH:61][cH:62][cH:63][cH:64]3)[cH:8][c:9]([N:11]2[CH2:12][CH2:13][CH:14]([CH3:17])[CH2:15][CH2:16]2)[cH:10]1
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8

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HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 59553142Methyl 2-((4-aminonaphthalen-1-yl)oxy)acetateHCID 595533113-Fluoro-5-(4-methylpiperidin-1-yl)benzoic acid

생성물 1

HCID 59553324HCID 59553324, 화합물

출처 및 근거

ORD 기록
ord-3c93b9a6f7c347b594038e86cc495e95
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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