Dimethylformamide → 2-[5-[[2-(1-Hydroxycycloheptyl)acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl acetate

HRID 678538Notes

Reaction equation

HRID 678538 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]([CH3:19])[c:14]([NH2:18])[c:15]2[cH:16][cH:17]1.[CH2:71]([Cl:72])[Cl:73].[CH3:40][N+:41]([CH3:42])=[C:43]([N:44]([CH3:45])[CH3:46])[O:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[OH:21][C:22]1([CH2:29][C:30](=[O:31])[OH:32])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39]>>[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]([CH3:19])[c:14]([NH:18][C:30]([CH2:29][C:22]3([OH:21])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)=[O:31])[c:15]2[cH:16][cH:17]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 545930862-(1-Hydroxycycloheptyl)acetic acidHCID 666493572-(5-Amino-6-methyl-1-oxoisoquinolin-2-yl)propyl acetate

Product 1

HCID 666489912-[5-[[2-(1-Hydroxycycloheptyl)acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl acetate

Sources & evidence

ORD record
ord-27a5662d15ec438993d452970f6d592b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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