Hydrochloric Acid → HCID 178485684, compound

HRID 141842Notes

Reaction equation

HRID 141842 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][CH:11]=[CH:12][C:13](=[O:14])[OH:15])([CH3:16])[CH3:17].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:40][NH:41][CH:42]([C:43](=[O:44])[N:45]([CH:46]([CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[C:54]([NH:55][CH2:56][C:57]([F:58])([F:59])[F:60])=[O:61])[CH3:62])[CH2:63][c:64]1[cH:65][c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[cH:72][cH:73]1.[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[Cl:79][CH2:80][Cl:81].[ClH:28].[OH:18][n:19]1[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][CH:11]=[CH:12][C:13](=[O:15])[N:41]([CH3:40])[CH:42]([C:43](=[O:44])[N:45]([CH:46]([CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[C:54]([NH:55][CH2:56][C:57]([F:58])([F:59])[F:60])=[O:61])[CH3:62])[CH2:63][c:64]1[cH:65][c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[cH:72][cH:73]1)([CH3:16])[CH3:17]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 223269802-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamideHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid

Product 1

HCID 178485684HCID 178485684, compound

Sources & evidence

ORD record
ord-b44ff12da461459f883f385c6262cc02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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