Ammonium → HCID 45102156, compound

HRID 90122Notes

Reaction equation

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]12[c:9]3[cH:10][cH:11][c:12]([C:30](=[O:31])[NH:32][c:33]4[c:34]([CH3:39])[n:35][cH:36][cH:37][cH:38]4)[cH:13][c:14]3[CH2:15][CH2:16][CH:17]1[CH2:18][C:19]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)([OH:29])[C:20](=[O:22])[CH2:21]2.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:47][C:48]#[N:49].[Cl-:45].[NH4+:46].[OH2:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]12[c:9]3[cH:10][cH:11][c:12]([C:30](=[O:31])[NH:32][c:33]4[c:34]([CH3:39])[n:35][cH:36][cH:37][cH:38]4)[cH:13][c:14]3[CH2:15][CH2:16][CH:17]1[CH2:18][C:19]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)([OH:29])[C:20]([OH:22])([CH3:40])[CH2:21]2

Participants

Reactant 6

HCID 223Ammonium

HCID 312Chloride

HCID 962Water

HCID 6342Acetonitrile

HCID 8028Tetrahydrofuran

HCID 722417844b-benzyl-7-hydroxy-N-(2-methyl-3-pyridinyl)-6-oxo-7-phenyl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxamide

Product 1

HCID 45102156HCID 45102156, compound

Sources & evidence

ORD record: ord-f971a6a3a954440c9d04a41efe365e2a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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