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

HRID 1211566Notes

Reaction equation

HRID 1211566 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:22])[c:10]2[cH:11][cH:12][c:13]([CH:19]3[CH2:20][CH2:21]3)[c:14]([NH2:18])[c:15]2[cH:16][cH:17]1.[CH2:71]([Cl:72])[Cl:73].[CH3:45][N+:46]([CH3:47])=[C:48]([N:49]([CH3:50])[CH3:51])[O:52][n:53]1[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[F:23][c:24]1[cH:25][c:26]([CH2:34][C:35](=[O:36])[OH:37])[cH:27][cH:28][c:29]1[C:30]([F:31])([F:32])[F:33].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:22])[c:10]2[cH:11][cH:12][c:13]([CH:19]3[CH2:20][CH2:21]3)[c:14]([NH:18][C:35]([CH2:34][c:26]3[cH:25][c:24]([F:23])[c:29]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:27]3)=[O:36])[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 66649018HCID 66649018, compound

Product 1

HCID 666493412-[6-Cyclopropyl-5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]propyl acetate

Sources & evidence

ORD record
ord-df5b8e01a1414baaa487f1d69e7e47f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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