Diethanolamine → trans-(4-{4-[Bis-(2-hydroxy-ethyl)-amino]-butoxymethyl}-cyclohexylmethyl)-methyl-carbamic acid 4-chloro-phenyl ester

HRID 1122720Notes

Reaction equation

HRID 1122720 reaction equation
[CH3:34][N:35]([CH3:36])[C:37](=[O:38])[CH3:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:8][C:9]([N:10]([CH3:11])[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]([CH2:19][O:20][CH2:21][CH2:22][CH2:23][CH2:24][Br:25])[CH2:17][CH2:18]2)=[O:26])[cH:6][cH:7]1.[OH:27][CH2:28][CH2:29][NH:30][CH2:31][CH2:32][OH:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:8][C:9]([N:10]([CH3:11])[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]([CH2:19][O:20][CH2:21][CH2:22][CH2:23][CH2:24][N:30]([CH2:29][CH2:28][OH:27])[CH2:31][CH2:32][OH:33])[CH2:17][CH2:18]2)=[O:26])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 8113DiethanolamineHCID 31374DimethylacetamideHCID 69638504HCID 69638504, compound

Product 1

HCID 69638273trans-(4-{4-[Bis-(2-hydroxy-ethyl)-amino]-butoxymethyl}-cyclohexylmethyl)-methyl-carbamic acid 4-chloro-phenyl ester

Sources & evidence

ORD record
ord-552c0bc1da774f5ba45465d0cc4f152c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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