Hydrochloric Acid → HCID 53380886, compound

HRID 313938Notes

Reaction equation

HRID 313938 reaction equation
[CH3:74][C:75]#[N:76].[ClH:44].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1.[o:31]1[c:32]([C:40]2([NH2:43])[CH2:41][CH2:42]2)[n:33][c:34]2[cH:35][n:36][cH:37][cH:38][c:39]12>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[NH:43][C:40]4([c:32]5[o:31][c:39]6[c:34]([n:33]5)[cH:35][n:36][cH:37][cH:38]6)[CH2:41][CH2:42]4)[cH:27][cH:28][c:29]2[CH3:30])[cH:19][cH:20]3)[cH:6][cH:7]1

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 592756533-(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 53380886HCID 53380886, compound

Sources & evidence

ORD record
ord-f05b66c405964f9f93cfa2477078558f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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