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Bicarbonate Ion → Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-(1,3-Dioxolan-2-yl)-phenylcarbamoyl)phenyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

HRID 1126097
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HRID 1126097 반응식
[C:59](=[O:60])([OH:61])[O-:62].[CH:13]([N:14]([CH2:15][CH3:16])[CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[Cl:22][C:23](=[O:24])[c:25]1[cH:26][c:27]([CH2:31][NH:32][C:33](=[O:34])[CH2:35][CH2:36][N:37]2[CH2:38][CH2:39][CH:40]([O:43][C:44]([NH:45][c:46]3[c:47](-[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:48][cH:49][cH:50][cH:51]3)=[O:58])[CH2:41][CH2:42]2)[cH:28][cH:29][cH:30]1.[Cl:64][CH2:65][Cl:66].[Na+:63].[O:1]1[CH:2]([c:6]2[cH:7][cH:8][c:9]([NH2:12])[cH:10][cH:11]2)[O:3][CH2:4][CH2:5]1>>[O:1]1[CH:2]([c:6]2[cH:7][cH:8][c:9]([NH:12][C:23](=[O:24])[c:25]3[cH:26][c:27]([CH2:31][NH:32][C:33](=[O:34])[CH2:35][CH2:36][N:37]4[CH2:38][CH2:39][CH:40]([O:43][C:44]([NH:45][c:46]5[c:47](-[c:52]6[cH:53][cH:54][cH:55][cH:56][cH:57]6)[cH:48][cH:49][cH:50][cH:51]5)=[O:58])[CH2:41][CH2:42]4)[cH:28][cH:29][cH:30]3)[cH:10][cH:11]2)[O:3][CH2:4][CH2:5]1
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 111266244-(1,3-Dioxolan-2-yl)anilineHCID 86646969Biphenyl-2-ylcarbamic acid 1-{2-[(3-chlorocarbonylphenyl)methylcarbamoyl]ethyl}piperidin-4-yl ester

생성물 1

HCID 66771841
Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-(1,3-Dioxolan-2-yl)-phenylcarbamoyl)phenyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

출처 및 근거

ORD 기록
ord-b7650d80ab004ca4967691d740fca792
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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