Hydrochloric Acid → HCID 178485624, compound

HRID 117786Notes

Reaction equation

HRID 117786 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].[CH2:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]([CH2:48][NH:49][C:50](=[S:51])[NH:52][CH:53]1[CH2:54][CH2:55]1)[N:56]([C:57]([CH:58]([CH2:59][c:60]1[cH:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[cH:68][cH:69]1)[NH:70][CH3:71])=[O:72])[CH3:73].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[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:70]([CH:58]([C:57]([N:56]([CH:47]([CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH2:48][NH:49][C:50](=[S:51])[NH:52][CH:53]1[CH2:54][CH2:55]1)[CH3:73])=[O:72])[CH2:59][c:60]1[cH:61][c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[cH:68][cH:69]1)[CH3:71])([CH3:16])[CH3:17]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acidHCID 178483155N-[1-(cyclopropylcarbamothioylamino)-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide

Product 1

HCID 178485624HCID 178485624, compound

Sources & evidence

ORD record
ord-a70b78156ee84d90be9a530db6e6c5c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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