Dimethylformamide → HCID 66648856, compound

HRID 166875Notes

Reaction equation

HRID 166875 reaction equation
[CH3:35][N+:36]([CH3:37])=[C:38]([N:39]([CH3:40])[CH3:41])[O:42][n:43]1[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1.[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[F:52][C:53]([c:54]1[cH:55][cH:56][c:57]([CH2:60][C:61](=[O:62])[OH:63])[cH:58][cH:59]1)([F:64])[F:65].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:14]([C:15](=[O:16])[NH2:17])[CH3:18])[c:7](=[O:13])[c:8]2[cH:9][cH:10][c:11]1[Cl:12].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:14]([C:15](=[O:16])[NH2:17])[CH3:18])[c:7](=[O:13])[c:8]2[cH:9][cH:10][c:11]1[Cl:12])[C:61]([CH2:60][c:57]1[cH:56][cH:55][c:54]([C:53]([F:52])([F:64])[F:65])[cH:59][cH:58]1)=[O:62]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 118342(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 666489922-(5-Amino-6-chloro-1-oxoisoquinolin-2-yl)propanamide

Product 1

HCID 66648856HCID 66648856, compound

Sources & evidence

ORD record
ord-2c617ac629fd4e3e8228d4604f39c350
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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