Hydrochloric Acid → HCID 53380770, compound

HRID 1237323Notes

Reaction equation

HRID 1237323 reaction equation
[CH3:76][C:77]#[N:78].[ClH:46].[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)[c:31]2[F:32])[c:10]1[CH3:11].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1.[o:33]1[c:34]([C:42]2([NH2:45])[CH2:43][CH2:44]2)[n:35][c:36]2[cH:37][n:38][cH:39][cH:40][c:41]12>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:45][C:42]2([c:34]3[o:33][c:41]4[c:36]([n:35]3)[cH:37][n:38][cH:39][cH:40]4)[CH2:43][CH2:44]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)[c:31]2[F:32])[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 584729003-Fluoro-5-(4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-4-methylbenzoic acidHCID 666054301-([1,3]Oxazolo[4,5-c]pyridin-2-yl)cyclopropan-1-amine

Product 1

HCID 53380770HCID 53380770, compound

Sources & evidence

ORD record
ord-8f2f462ca1844e6698d0139e89ffd407
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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