Hydrochloric Acid → HCID 66689037, compound

HRID 1574935Notes

Reaction equation

HRID 1574935 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[CH:47]1([N:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[CH2:48][CH2:49][CH2:50]1.[ClH:46].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[Br:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][C:10](=[O:12])[N:54]2[CH2:53][CH2:52][N:51]([CH:47]3[CH2:48][CH2:49][CH2:50]3)[CH2:56][CH2:55]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 362513-(3-Bromophenyl)acrylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 47386021-Cyclobutylpiperazine

Product 1

HCID 66689037HCID 66689037, compound

Sources & evidence

ORD record
ord-3923fb1cf56f4045896aa31b722ef4ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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