Ethanol → (3-{[2-(2'-Methoxy-biphenyl-2-ylamino)-ethylamino]-methyl}-phenyl)-piperidin-1-yl-methanone

HRID 1137046Notes

Reaction equation

HRID 1137046 reaction equation
[Br:1][c:2]1[c:3]([NH:8][CH2:9][CH2:10][NH:11][CH2:12][c:13]2[cH:14][c:15]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:16][cH:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:27][O:28][c:29]1[c:30]([B:35]([OH:36])[OH:37])[cH:31][cH:32][cH:33][cH:34]1.[CH3:44][CH2:45][OH:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Na+:42].[Na+:43]>>[c:2]1(-[c:30]2[c:29]([O:28][CH3:27])[cH:34][cH:33][cH:32][cH:31]2)[c:3]([NH:8][CH2:9][CH2:10][NH:11][CH2:12][c:13]2[cH:14][c:15]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:16][cH:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 27339582-Methoxyphenylboronic acidHCID 58975554(3-{[2-(2-Bromo-phenylamino)-ethylamino]-methyl}-phenyl)-piperidin-1-yl-methanone

Product 1

HCID 58975557(3-{[2-(2'-Methoxy-biphenyl-2-ylamino)-ethylamino]-methyl}-phenyl)-piperidin-1-yl-methanone

Sources & evidence

ORD record
ord-4f5da26e0c6144aab9a54e0b508ffee9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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