Hydrochloric Acid → HCID 53380769, compound

HRID 137187Notes

Reaction equation

HRID 137187 reaction equation
[CH3:75][C:76]#[N:77].[ClH:45].[F:1][c:2]1[c:3](-[c:22]2[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][c:30]2[CH3:31])[cH:4][cH:5][c:6]2[c:7]1[c:8]([C:18]([NH:19][CH3:20])=[O:21])[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[o:10]2.[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[c:3](-[c:22]2[cH:23][c:24]([C:25](=[O:27])[NH:44][C:41]3([c:33]4[o:32][c:40]5[c:35]([n:34]4)[cH:36][n:37][cH:38][cH:39]5)[CH2:42][CH2:43]3)[cH:28][cH:29][c:30]2[CH3:31])[cH:4][cH:5][c:6]2[c:7]1[c:8]([C:18]([NH:19][CH3:20])=[O:21])[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[o:10]2

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 592756803-(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 53380769HCID 53380769, compound

Sources & evidence

ORD record
ord-6269638b88f149b793e744036f40c0de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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