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Water → API-1252;Debio 1452

HRID 306076
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HRID 306076 반응식
[CH3:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37].[CH3:38][NH:39][CH2:40][c:41]1[o:42][c:43]2[c:44]([c:45]1[CH3:46])[cH:47][cH:48][cH:49][cH:50]2.[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([CH:12]=[CH:13][C:14](=[O:15])[OH:16])[cH:8][n:9][c:10]2[NH:11]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:60].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1>>[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([CH:12]=[CH:13][C:14](=[O:16])[N:39]([CH3:38])[CH2:40][c:41]3[o:42][c:43]4[c:44]([c:45]3[CH3:46])[cH:47][cH:48][cH:49][cH:50]4)[cH:8][n:9][c:10]2[NH:11]1
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8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 46785639N-methyl-1-(3-methylbenzofuran-2-yl)methanamineHCID 66905303
(E)-3-(7-oxo-1,5,6,7-tetrahydro-1,8-naphthyridin-3-yl)acrylic acid

생성물 1

HCID 66780180API-1252;Debio 1452

출처 및 근거

ORD 기록
ord-6a57ff12030146b7b8bb56f2dd782b4d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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