Hydrochloric Acid → HCID 178523507, compound

HRID 1542751Notes

Reaction equation

HRID 1542751 reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[ClH:50].[NH2:51][CH2:52][C:53](=[O:54])[N:55]1[CH2:56][CH2:57][CH:58]([O:61][c:62]2[cH:63][c:64]([C:68]([F:69])([F:70])[F:71])[cH:65][cH:66][cH:67]2)[CH2:59][CH2:60]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:55]3[CH2:56][CH2:57][CH:58]([O:61][c:62]4[cH:63][c:64]([C:68]([F:69])([F:70])[F:71])[cH:65][cH:66][cH:67]4)[CH2:59][CH2:60]3)[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 665915482-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanoneHCID 178525878HCID 178525878, compound

Product 1

HCID 178523507HCID 178523507, compound

Sources & evidence

ORD record
ord-8f4f3f41bddd4d0fb0a99019534faa7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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