Ethanol → HCID 11260477, compound

HRID 312655Notes

Reaction equation

HRID 312655 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:21])[c:5](-[c:9]2[c:10]([CH3:20])[s:11][c:12]3[c:13]2[n:14][c:15]([CH3:19])[n:16][c:17]3[Cl:18])[c:6]([CH3:8])[cH:7]1.[CH3:44][CH2:45][OH:46].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[NH:22]1[CH2:23][CH2:24][CH:25]([CH2:28][OH:29])[CH2:26][CH2:27]1.[Na+:39].[OH:40][C:41](=[O:42])[O-:43]>>[Br:1][c:2]1[cH:3][c:4]([CH3:21])[c:5](-[c:9]2[c:10]([CH3:20])[s:11][c:12]3[c:13]2[n:14][c:15]([CH3:19])[n:16][c:17]3[N:22]2[CH2:23][CH2:24][CH:25]([CH2:28][OH:29])[CH2:26][CH2:27]2)[c:6]([CH3:8])[cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 4207714-PiperidinemethanolHCID 57753034HCID 57753034, compound

Product 1

HCID 11260477HCID 11260477, compound

Sources & evidence

ORD record
ord-b188a3c591ad491aa2916c21053b5c59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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