Hydrochloric Acid → HCID 178489295, compound

HRID 2318837Notes

Reaction equation

HRID 2318837 reaction equation
[CH3:10][O:11][c:12]1[c:13](-[c:18]2[cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][C:27](=[O:28])[OH:29])[n:21][nH:22]2)[cH:14][cH:15][cH:16][cH:17]1.[CH3:30][O:31][c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[C:38](=[O:39])[CH3:40].[CH3:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:65][c:66]1[c:67]([NH:72][CH:73]2[CH2:74][CH2:75][NH:76][CH2:77][CH2:78]2)[cH:68][cH:69][cH:70][cH:71]1.[ClH:62].[ClH:63].[ClH:64].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[CH3:10][O:11][c:12]1[c:13](-[c:18]2[cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][C:27](=[O:29])[N:76]3[CH2:75][CH2:74][CH:73]([NH:72][c:67]4[c:66]([Cl:65])[cH:71][cH:70][cH:69][cH:68]4)[CH2:78][CH2:77]3)[n:21][nH:22]2)[cH:14][cH:15][cH:16][cH:17]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 684812'-MethoxyacetophenoneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4778206N-(2-chlorophenyl)piperidin-4-amineHCID 178489298HCID 178489298, compound

Product 1

HCID 178489295HCID 178489295, compound

Sources & evidence

ORD record
ord-b8849f5c79564bf9a3ecd58a73654fb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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