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Water → HCID 72421116, 화합물

HRID 2139691
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HRID 2139691 반응식
[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:1][c:2]1[c:3]([NH:8][c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([CH2:18][C:19](=[O:20])[OH:21])[cH:17]3)[cH:4][cH:5][cH:6][cH:7]1.[F:22][CH:23]1[CH2:24][CH:25]([CH2:28][O:29][c:30]2[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[NH:26][CH2:27]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[Cl:1][c:2]1[c:3]([NH:8][c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([CH2:18][C:19](=[O:21])[N:26]2[CH:25]([CH2:28][O:29][c:30]4[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]4)[CH2:24][CH:23]([F:22])[CH2:27]2)[cH:17]3)[cH:4][cH:5][cH:6][cH:7]1
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참가 물질

7

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 23512191Methyl 4-[(4-fluoropyrrolidin-2-yl)methoxy]benzoateHCID 58778853HCID 58778853, 화합물

생성물 1

HCID 72421116
HCID 72421116, 화합물

출처 및 근거

ORD 기록
ord-6e438e143b704662af0bb62671bc2ee1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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