Aniline → HCID 57505774, compound

HRID 672230Notes

Reaction equation

HRID 672230 reaction equation
[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][c:9]3[n:10]([n:11][c:12]([S:15][c:16]4[c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23][cH:24]4)[cH:13][cH:14]3)[cH:25]2)[CH2:2][CH2:3]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[NH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][c:9]3[n:10]([n:11][c:12]([S:15][c:16]4[c:17]([C:18](=[O:20])[NH:26][c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[cH:21][cH:22][cH:23][cH:24]4)[cH:13][cH:14]3)[cH:25]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 6115AnilineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57505639HCID 57505639, compound

Product 1

HCID 57505774HCID 57505774, compound

Sources & evidence

ORD record
ord-cfb7478e164d4c70bc2e4971b0d54fca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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