Ammonium → HCID 57558055, compound

HRID 200762Notes

Reaction equation

[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[Cl-:47].[NH4+:48].[O:14]=[C:15]1[N:16]([c:26]2[cH:27][cH:28][c:29]3[cH:30][c:31](-[c:37]4[c:38]([C:43]([F:44])([F:45])[F:46])[cH:39][cH:40][cH:41][cH:42]4)[nH:32][c:33](=[O:36])[c:34]3[cH:35]2)[CH2:17][CH2:18][CH:19]1[CH2:20][O:21][S:22]([CH3:23])(=[O:24])=[O:25]>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:20][CH:19]1[C:15](=[O:14])[N:16]([c:26]2[cH:27][cH:28][c:29]3[cH:30][c:31](-[c:37]4[c:38]([C:43]([F:44])([F:45])[F:46])[cH:39][cH:40][cH:41][cH:42]4)[nH:32][c:33](=[O:36])[c:34]3[cH:35]2)[CH2:17][CH2:18]1

Participants

Reactant 6

HCID 223Ammonium

HCID 312Chloride

HCID 8028Tetrahydrofuran

HCID 8083Morpholine

HCID 8471Triethylamine

HCID 86626744Methanesulfonic acid 2-oxo-1-[1-oxo-3-(2-trifluoromethylphenyl)-1,2-dihydroisoquinolin-7-yl]-pyrrolidin-3-ylmethyl ester

Product 1

HCID 57558055HCID 57558055, compound

Sources & evidence

ORD record: ord-34f7ad23768947ffb195b42a75602b87
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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