Hydrochloric Acid → HCID 44235032, compound

HRID 1537352Notes

Reaction equation

HRID 1537352 reaction equation
[C:24]([c:25]1[s:26][c:27]([Cl:28])[cH:29][cH:30]1)(=[O:31])[CH3:32].[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:16]2[cH:17][c:18]([C:21](=[O:22])[OH:23])[n:19][nH:20]2)[s:15]1.[ClH:54].[ClH:55].[NH2:56][CH2:57][C:58](=[O:59])[N:60]1[CH2:61][CH2:62][CH:63]([O:66][c:67]2[cH:68][c:69]([C:73]([F:74])([F:75])[F:76])[cH:70][cH:71][cH:72]2)[CH2:64][CH2:65]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:82].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:16]2[cH:17][c:18]([C:21](=[O:23])[NH:56][CH2:57][C:58](=[O:59])[N:60]3[CH2:61][CH2:62][CH:63]([O:66][c:67]4[cH:68][c:69]([C:73]([F:74])([F:75])[F:76])[cH:70][cH:71][cH:72]4)[CH2:64][CH2:65]3)[n:19][nH:20]2)[s:15]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 805722-Acetyl-5-chlorothiopheneHCID 81531DiisopropylethylamineHCID 31569925-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acidHCID 665915482-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

Product 1

HCID 44235032HCID 44235032, compound

Sources & evidence

ORD record
ord-8d61fd1e5a6648f6ab2fca945e8b0053
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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