Hydrochloric Acid → 4-Hydroxy-3-hydroxymethyl-2-pentyl 4-(n-hexadecylamino)benzoate

HRID 1115907Notes

Reaction equation

HRID 1115907 reaction equation
[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[NH:39][c:40]1[cH:41][cH:42][c:43]([C:44](=[O:45])[Cl:46])[cH:47][cH:48]1.[CH2:49]([CH2:50][O:51][CH3:52])[O:53][CH3:54].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[CH:65]([Cl:66])([Cl:67])[Cl:68].[Cl:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[ClH:22].[H-:10].[H:12][H:13].[Na+:11].[OH2:64].[OH:1][CH:2]([CH3:3])[CH:4]([CH:5]([CH3:6])[OH:7])[CH2:8][OH:9]>>[O:1]([CH:2]([CH3:3])[CH:4]([CH:5]([CH3:6])[OH:7])[CH2:8][OH:9])[C:44]([c:43]1[cH:42][cH:41][c:40]([NH:39][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[cH:48][cH:47]1)=[O:45]

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 7503Benzyl ChlorideHCID 80711,2-DimethoxyethaneHCID 142844-(Dimethylamino)pyridineHCID 612343-(Hydroxymethyl)pentane-2,4-diolHCID 105282Benzoyl chloride, 4-(hexadecylamino)-HCID 166653HydrideHCID 178418361HCID 178418361, compound

Product 1

HCID 213269404-Hydroxy-3-hydroxymethyl-2-pentyl 4-(n-hexadecylamino)benzoate

Sources & evidence

ORD record
ord-612c879907a04ae1a8feb4bc43157642
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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