Hydrochloric Acid → HCID 178475349, compound

HRID 315628Notes

Reaction equation

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

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 787Hydroxylamine

HCID 962Water

HCID 1049Pyridine

HCID 273127(17-Acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate

Product 1

HCID 178475349HCID 178475349, compound

Sources & evidence

ORD record: ord-06155e9e19b14062909bf4f5cabd01df
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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