Hydrochloric Acid → HCID 53380887, compound

HRID 286891Notes

Reaction equation

HRID 286891 reaction equation
[CH3:75][C:76]#[N:77].[ClH:45].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]3[c:16]([c:17]([C:27]([NH:28][CH3:29])=[O:30])[c:18](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[o:19]3)[cH:31]2)[c:10]1[CH3:11].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1.[o:32]1[c:33]([C:41]2([NH2:44])[CH2:42][CH2:43]2)[n:34][c:35]2[cH:36][n:37][cH:38][cH:39][c:40]12>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:44][C:41]2([c:33]3[o:32][c:40]4[c:35]([n:34]3)[cH:36][n:37][cH:38][cH:39]4)[CH2:42][CH2:43]2)[cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]3[c:16]([c:17]([C:27]([NH:28][CH3:29])=[O:30])[c:18](-[c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[o:19]3)[cH:31]2)[c:10]1[CH3:11]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592757093-Fluoro-5-(2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methyl benzoic acidHCID 666054301-([1,3]Oxazolo[4,5-c]pyridin-2-yl)cyclopropan-1-amine

Product 1

HCID 53380887HCID 53380887, compound

Sources & evidence

ORD record
ord-3a2fc617c3314debbf3d1b2468d70cdb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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