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Acetic Acid → 2-{4-[1-(3,5-Diethoxy-4-[1,2,4]triazol-1-yl-benzyl)-piperidin-4-ylcarbamoyl]-phenyl}-2-methyl-propionic acid methyl ester

HRID 1538829
Notes
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Reaction equation

HRID 1538829 reaction equation
[C:42]([BH3-:43])#[N:44].[CH2:23]([CH3:24])[O:25][c:26]1[cH:27][c:28]([CH:29]=[O:30])[cH:31][c:32]([O:39][CH2:40][CH3:41])[c:33]1-[n:34]1[n:35][cH:36][n:37][cH:38]1.[CH2:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH:51]([CH3:52])[CH3:53])[CH3:54].[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22].[CH3:55][CH2:56][OH:57].[CH3:58][C:59](=[O:60])[OH:61].[Na+:45]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:29][c:28]3[cH:27][c:26]([O:25][CH2:23][CH3:24])[c:33](-[n:34]4[n:35][cH:36][n:37][cH:38]4)[c:32]([O:39][CH2:40][CH3:41])[cH:31]3)[CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium IonHCID 81531DiisopropylethylamineHCID 498716Cyano-borohydrideHCID 587063313,5-Diethoxy-4-[1,2,4]triazol-1-yl-benzaldehydeHCID 68459381
2-Methyl-2-[4-(piperidin-4-ylcarbamoyl)-phenyl]-propionic acid methyl ester

Product 1

HCID 684579412-{4-[1-(3,5-Diethoxy-4-[1,2,4]triazol-1-yl-benzyl)-piperidin-4-ylcarbamoyl]-phenyl}-2-methyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-0f0c173a4b2347b3a39af8e36b753e18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes