Hydrochloric Acid → HCID 178485684, compound

HRID 1555151Notes

Reaction equation

HRID 1555151 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].[CH2:74]([N:75]([CH:76]([CH3:77])[CH3:78])[CH:79]([CH3:80])[CH3:81])[CH3:82].[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.[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[Cl:88][CH2:89][Cl:90].[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

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 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-7b87477156724bcf99246d3061f47328
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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