Potassium Cation → Methyl 2-(3,5-bis(hydroxymethyl)phenyl)-5,8,11,14,17,20,23, 26,29,32,35,38-dodecaoxa-2-azahentetracontan-41-oate

HRID 1230998Notes

Reaction equation

HRID 1230998 reaction equation
[C:56](=[O:57])([O-:58])[O-:59].[I:54][CH3:55].[K+:60].[K+:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:1][CH2:2][c:3]1[cH:4][c:5]([NH:11][CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][C:50](=[O:51])[O:52][CH3:53])[cH:6][c:7]([CH2:9][OH:10])[cH:8]1>>[OH:1][CH2:2][c:3]1[cH:4][c:5]([N:11]([CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][C:50](=[O:51])[O:52][CH3:53])[CH3:56])[cH:6][c:7]([CH2:9][OH:10])[cH:8]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 19660Carbonate IonHCID 68635232HCID 68635232, compound

Product 1

HCID 68633754Methyl 2-(3,5-bis(hydroxymethyl)phenyl)-5,8,11,14,17,20,23, 26,29,32,35,38-dodecaoxa-2-azahentetracontan-41-oate

Sources & evidence

ORD record
ord-fc57e90908924327a113d21135ca1af5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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