Hydrochloric Acid → HCID 178483350, compound

HRID 147725Notes

Reaction equation

HRID 147725 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].[CH2:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH:72]([CH3:73])[CH3:74])[CH3:75].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:40][N:41]([C:42]([CH:43]([CH2:44][c:45]1[cH:46][c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[cH:53][cH:54]1)[NH:55][CH3:56])=[O:57])[CH2:58][CH2:59][CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[Cl:81][CH2:82][Cl:83].[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:55]([CH:43]([C:42]([N:41]([CH3:40])[CH2:58][CH2:59][CH2:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)=[O:57])[CH2:44][c:45]1[cH:46][c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[cH:53][cH:54]1)[CH3:56])([CH3:16])[CH3:17]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acidHCID 178483154HCID 178483154, compound

Product 1

HCID 178483350HCID 178483350, compound

Sources & evidence

ORD record
ord-7481f50136f14e51a714cd204cc394b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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