Ethanol → HCID 178505070, compound

HRID 208419Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 58382930Ethyl 4-[4-[benzyl-[2-hydroxy-3-[3-(methanesulfonamido)-4-phenylmethoxyphenoxy]propyl]amino]cyclohexyl]benzoate

Product 1

HCID 178505070HCID 178505070, compound

Sources & evidence

ORD record: ord-45266ed337c0463c9ee2ecba31a4c52d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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