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Hydrochloric Acid → 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[1-(3-hydroxyazetidin-1-yl)propan-2-yl]-6-methyl-1-oxoisoquinolin-5-yl]acetamide

HRID 2159679
Notes
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Reaction equation

HRID 2159679 reaction equation
[CH2:49]([Cl:50])[Cl:51].[CH3:1][S:2]([O:3][CH2:6][CH:7]([CH3:8])[n:9]1[c:10](=[O:35])[c:11]2[cH:12][cH:13][c:14]([CH3:34])[c:15]([NH:19][C:20]([CH2:21][c:22]3[cH:23][c:24]([F:32])[c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)=[O:33])[c:16]2[cH:17][cH:18]1)(=[O:4])=[O:5].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[ClH:36].[OH:37][CH:38]1[CH2:39][NH:40][CH2:41]1>>[CH2:6]([CH:7]([CH3:8])[n:9]1[c:10](=[O:35])[c:11]2[cH:12][cH:13][c:14]([CH3:34])[c:15]([NH:19][C:20]([CH2:21][c:22]3[cH:23][c:24]([F:32])[c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)=[O:33])[c:16]2[cH:17][cH:18]1)[N:40]1[CH2:39][CH:38]([OH:37])[CH2:41]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 15142903-HydroxyazetidineHCID 725773242-[5-[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl methanesulfonate

Product 1

HCID 91493870
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[1-(3-hydroxyazetidin-1-yl)propan-2-yl]-6-methyl-1-oxoisoquinolin-5-yl]acetamide

Sources & evidence

ORD record
ord-7a1782fc787e43ab96ea1f4c5243ff24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes