Ethanol → tert-Butyl 3-({6-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-6-oxohexyl}amino)benzoate

HRID 291192

반응식

HRID 291192 반응식
[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[CH3:68][CH2:69][OH:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[NH2:35][c:36]1[cH:37][c:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47][cH:48]1.[Na+:62].[Na+:63].[OH:64][C:65](=[O:66])[O-:67].[c:1]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH:24]=[O:25])=[O:26])[CH3:27])[CH2:14][CH2:15]2)=[O:28])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][NH:35][c:36]3[cH:37][c:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47][cH:48]3)=[O:26])[CH3:27])[CH2:14][CH2:15]2)=[O:28])[cH:3][cH:4][cH:5][cH:6]1

참가 물질

8

반응물 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2회HCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 2737408tert-Butyl-3-aminobenzoateHCID 867619011-{2-[Methyl(6-oxohexanoyl)amino]ethyl}piperidin-4-yl biphenyl-2-ylcarbamate

생성물 1

HCID 86663445tert-Butyl 3-({6-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-6-oxohexyl}amino)benzoate

출처 및 근거

ORD 기록
ord-e68706484a0c4b7eaa99c7ea27ea5720
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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