Hydrochloric Acid → HCID 44235271, compound

HRID 1543604Notes

Reaction equation

HRID 1543604 reaction equation
[Br:58][c:59]1[c:60]([O:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:68][cH:69][cH:70][cH:71]1.[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:50].[F:51][C:52]([F:53])([F:54])[C:55]([OH:56])=[O:57].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1.[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:12])[OH:13])[cH:5][cH:6]1>>[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:13])[N:65]2[CH2:64][CH2:63][CH:62]([O:61][c:60]3[c:59]([Br:58])[cH:71][cH:70][cH:69][cH:68]3)[CH2:67][CH2:66]2)[cH:5][cH:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2629432-((4-Phenylphenyl)formamido)acetic acidHCID 167316944-(2-Bromophenoxy)piperidine

Product 1

HCID 44235271HCID 44235271, compound

Sources & evidence

ORD record
ord-0fbf0128177b45048809a8c63581559d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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