Hydrochloric Acid → HCID 20677520, compound

HRID 2150282Notes

Reaction equation

HRID 2150282 reaction equation
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[N:43]([CH3:44])[CH:45]([C:46](=[O:47])[OH:48])[CH2:49][c:50]1[cH:51][c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[cH:58][cH:59]1.[CH2:1]1[N:2]([C:11](=[O:12])[CH:13]([N:14]([CH3:15])[C:16](=[O:17])[CH:18]=[CH:19][CH2:20][C:21]([NH2:22])([CH3:23])[CH3:24])[CH2:25][c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[cH:35]2)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH2:82]([N:83]([CH:84]([CH3:85])[CH3:86])[CH:87]([CH3:88])[CH3:89])[CH3:90].[CH3:71][N:72]([CH3:73])[CH2:74][CH2:75][CH2:76][N:77]=[C:78]=[N:79][CH2:80][CH3:81].[CH3:91][N:92]([CH3:93])[CH:94]=[O:95].[CH3:99][CH2:100][O:101][C:102](=[O:103])[CH3:104].[Cl:96][CH2:97][Cl:98].[ClH:70].[OH:60][n:61]1[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH2:1]1[N:2]([C:46]([CH:45]([N:43]([C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])[CH3:44])[CH2:49][c:50]2[cH:51][c:52]3[cH:53][cH:54][cH:55][cH:56][c:57]3[cH:58][cH:59]2)=[O:47])[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 223269722-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-naphthalen-2-ylpropanoic acidHCID 178485679HCID 178485679, compound

Product 1

HCID 20677520HCID 20677520, compound

Sources & evidence

ORD record
ord-fa8368ded147470db826666546c6b075
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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