Hydrochloric Acid → HCID 178428905, compound

HRID 116370Notes

Reaction equation

HRID 116370 reaction equation
[C:53]([CH3:54])([CH3:55])([CH3:56])[O:57][C:58](=[O:59])[N:60]1[CH:61]([CH:67]([C:68](=[O:69])[OH:70])[c:71]2[c:72]([F:78])[cH:73][c:74]([Cl:77])[cH:75][cH:76]2)[CH2:62][CH2:63][C:64]1([CH3:65])[CH3:66].[CH3:3][CH:4]1[CH2:5][CH:6]([OH:19])[c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[c:12]21.[Cl:79][CH2:80][Cl:81].[ClH:1].[ClH:2].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1.[n:44]1[c:45]([CH3:46])[cH:47][c:48]([CH3:49])[cH:50][c:51]1[CH3:52]>>[CH3:3][CH:4]1[CH2:5][CH:6]([OH:19])[c:7]2[n:8][cH:9][n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([C:68]([CH:67]([CH:61]4[N:60]([C:58]([O:57][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:59])[C:64]([CH3:65])([CH3:66])[CH2:63][CH2:62]4)[c:71]4[c:72]([F:78])[cH:73][c:74]([Cl:77])[cH:75][cH:76]4)=[O:69])[CH2:17][CH2:18]3)[c:12]21

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 79532,4,6-TrimethylpyridineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 685203895-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-olHCID 771959402-(4-Chloro-2-fluorophenyl)-2-[5,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid

Product 1

HCID 178428905HCID 178428905, compound

Sources & evidence

ORD record
ord-bc319dfece4b415f938cf3938182c983
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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