Hydrochloric Acid → HCID 178523517, compound

HRID 96863Notes

Reaction equation

HRID 96863 reaction equation
[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:45].[ClH:46].[NH2:47][CH2:48][C:49](=[O:50])[N:51]1[CH2:52][CH2:53][CH:54]([O:57][c:58]2[c:59]([F:68])[cH:60][cH:61][c:62]([C:64]([F:65])([F:66])[F:67])[cH:63]2)[CH2:55][CH2:56]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1.[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[OH:23])[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:23])[NH:47][CH2:48][C:49](=[O:50])[N:51]3[CH2:52][CH2:53][CH:54]([O:57][c:58]4[c:59]([F:68])[cH:60][cH:61][c:62]([C:64]([F:65])([F:66])[F:67])[cH:63]4)[CH2:55][CH2:56]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 665915462-Amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanoneHCID 178524117HCID 178524117, compound

Product 1

HCID 178523517HCID 178523517, compound

Sources & evidence

ORD record
ord-576b5290edc24f2dbf64ff16ee46b313
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…