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Bicarbonate Ion → N-{[trans-4-(2-{[3,5-Bis(trifluoromethyl)benzyl]amino}ethyl)cyclohexyl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide

HRID 160087
Notes
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Reaction equation

HRID 160087 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:31]([CH3:32])[CH3:33])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][CH2:21][CH:22]([CH2:25][CH:26]=[O:27])[CH2:23][CH2:24]4)[cH:28][cH:29]3)[o:10]2)[cH:30]1.[C:50]([BH3-:51])#[N:52].[C:56](=[O:57])([OH:58])[O-:59].[CH3:54][OH:55].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[F:34][C:35]([c:36]1[cH:37][c:38]([CH2:39][NH2:40])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49].[Na+:53].[Na+:60]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:31]([CH3:32])[CH3:33])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][CH2:21][CH:22]([CH2:25][CH2:26][NH:40][CH2:39][c:38]5[cH:37][c:36]([C:35]([F:34])([F:48])[F:49])[cH:43][c:42]([C:44]([F:45])([F:46])[F:47])[cH:41]5)[CH2:23][CH2:24]4)[cH:28][cH:29]3)[o:10]2)[cH:30]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2×HCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 5210993,5-Bis(trifluoromethyl)benzylamine
HCID 86643814
4-(5-Cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-{[trans-4-(2-oxoethyl)cyclohexyl]methyl}benzamide

Product 1

HCID 25153002N-{[trans-4-(2-{[3,5-Bis(trifluoromethyl)benzyl]amino}ethyl)cyclohexyl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide

Sources & evidence

ORD record
ord-49dec1fcbbf942d4a9f145ac5a94a4f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes