Acetic Acid → HCID 11081921, compound

HRID 319664Notes

Reaction equation

HRID 319664 reaction equation
[C:42]([BH3-:43])#[N:44].[C:51](=[O:52])([OH:53])[O-:54].[CH3:38][C:39](=[O:40])[OH:41].[CH3:46][OH:47].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][CH:11]=[O:12])[CH2:13][n:14]2[n:15][n:16][n:17][c:18]2-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][cH:6][c:7]1[Cl:8].[Cl:48][CH2:49][Cl:50].[Na+:45].[Na+:55].[OH:25][C:26]1([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][CH2:11][N:29]2[CH2:28][CH2:27][C:26]([OH:25])([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:31][CH2:30]2)[CH2:13][n:14]2[n:15][n:16][n:17][c:18]2-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 963874-Phenylpiperidin-4-olHCID 498716Cyano-borohydrideHCID 11783374HCID 11783374, compound

Product 1

HCID 11081921HCID 11081921, compound

Sources & evidence

ORD record
ord-41a2f71792da446ab48f4970ca2153af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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