Dimethylformamide → HCID 59451561, compound

HRID 1115422Notes

Reaction equation

HRID 1115422 reaction equation
[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[NH2:50][CH2:51][c:52]1[c:53]([F:69])[c:54]([O:59][c:60]2[cH:61][c:62]([C:63]#[N:64])[cH:65][c:66]([Cl:68])[cH:67]2)[c:55]([Cl:58])[cH:56][cH:57]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:34][CH2:35][CH2:36][O:37][c:38]1[cH:39][cH:40][c:41]2[cH:42][c:43]([C:47](=[O:48])[OH:49])[nH:44][c:45]2[cH:46]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[OH:34][CH2:35][CH2:36][O:37][c:38]1[cH:39][cH:40][c:41]2[cH:42][c:43]([C:47](=[O:49])[NH:50][CH2:51][c:52]3[c:53]([F:69])[c:54]([O:59][c:60]4[cH:61][c:62]([C:63]#[N:64])[cH:65][c:66]([Cl:68])[cH:67]4)[c:55]([Cl:58])[cH:56][cH:57]3)[nH:44][c:45]2[cH:46]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrileHCID 59451410HCID 59451410, compound

Product 1

HCID 59451561HCID 59451561, compound

Sources & evidence

ORD record
ord-dab194f552e54fb2b0e21d1b2f73300f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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