Dichloromethane → 2-[6-Chloro-5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]propyl acetate

HRID 1543542Notes

Reaction equation

HRID 1543542 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:20])[c:10]2[cH:11][cH:12][c:13]([Cl:19])[c:14]([NH2:18])[c:15]2[cH:16][cH:17]1.[CH2:21]([Cl:22])[Cl:23].[CH3:46][N+:47]([CH3:48])=[C:49]([N:50]([CH3:51])[CH3:52])[O:53][n:54]1[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[F:24][c:25]1[cH:26][c:27]([CH2:35][C:36](=[O:37])[OH:38])[cH:28][cH:29][c:30]1[C:31]([F:32])([F:33])[F:34].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:20])[c:10]2[cH:11][cH:12][c:13]([Cl:19])[c:14]([NH:18][C:36]([CH2:35][c:27]3[cH:26][c:25]([F:24])[c:30]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:28]3)=[O:37])[c:15]2[cH:16][cH:17]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27375913-Fluoro-4-(trifluoromethyl)phenylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 666490952-(5-Amino-6-chloro-1-oxoisoquinolin-2-yl)propyl acetate

Product 1

HCID 666490152-[6-Chloro-5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]propyl acetate

Sources & evidence

ORD record
ord-5ae267a2b52b4726a26eb66334f37bba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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