Ethanolamine → HCID 178464419, compound

HRID 672319Notes

Reaction equation

[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[NH2:33][CH2:34][CH2:35][OH:36].[OH2:44].[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[O:14])[C:15]4([CH3:32])[CH2:16][C:17](=[O:31])[CH:18]3[C:19]2([CH3:30])[CH2:20][CH:21]1[N:22]1[CH2:23][C:24]([CH3:28])([CH3:29])[O:25][CH2:26][CH2:27]1>>[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[N:33][CH2:34][CH2:35][OH:36])[C:15]4([CH3:32])[CH2:16][C:17](=[O:31])[CH:18]3[C:19]2([CH3:30])[CH2:20][CH:21]1[N:22]1[CH2:23][C:24]([CH3:28])([CH3:29])[O:25][CH2:26][CH2:27]1

Participants

Reactant 4

HCID 700Ethanolamine

HCID 962Water

HCID 1140Toluene

HCID 2335632617-Acetyl-2-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Product 1

HCID 178464419HCID 178464419, compound

Sources & evidence

ORD record: ord-5b18a2a2d3564ce49cda285f8777a830
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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