Hydrochloric Acid → HCID 44235961, compound

HRID 2129727Notes

Reaction equation

HRID 2129727 reaction equation
[Br:59][c:60]1[c:61]([O:62][CH:63]2[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]2)[cH:69][cH:70][cH:71][cH:72]1.[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[ClH:51].[F:52][C:53]([F:54])([F:55])[C:56]([OH:57])=[O:58].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1.[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:18])[N:66]3[CH2:65][CH2:64][CH:63]([O:62][c:61]4[c:60]([Br:59])[cH:72][cH:71][cH:70][cH:69]4)[CH2:68][CH2:67]3)[cH:19][cH:20]2)[cH:2][cH:3][cH:4][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 167316944-(2-Bromophenoxy)piperidineHCID 57874498(4-Phenylamino-benzoylamino)-acetic acid

Product 1

HCID 44235961HCID 44235961, compound

Sources & evidence

ORD record
ord-65befedb0b9b4a75b4f5a73fb6516ea6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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