Hydrochloric Acid → HCID 178485686, compound

HRID 2143282Notes

Reaction equation

HRID 2143282 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]([CH3:21])[CH:22]([C:23](=[O:24])[OH:25])[CH2:26][c:27]1[cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1.[CH2:74]([N:75]([CH:76]([CH3:77])[CH3:78])[CH:79]([CH3:80])[CH3:81])[CH3:82].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:48][NH:49][C:50]([CH:51]([CH2:52][CH2:53][CH2:54][CH2:55][NH:56][C:57]([CH3:58])=[O:59])[NH:60][C:61]([CH:62]([CH2:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[NH:70][CH3:71])=[O:72])=[O:73].[CH3:86][N:87]([CH3:88])[CH:89]=[O:90].[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[Cl:83][CH2:84][Cl:85].[ClH:1].[ClH:47].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]([CH3:21])[CH:22]([C:23](=[O:25])[N:70]([CH:62]([C:61]([NH:60][CH:51]([C:50]([NH:49][CH3:48])=[O:73])[CH2:52][CH2:53][CH2:54][CH2:55][NH:56][C:57]([CH3:58])=[O:59])=[O:72])[CH2:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH3:71])[CH2:26][c:27]1[cH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[cH:35][cH:36]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 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 178485685HCID 178485685, compound

Product 1

HCID 178485686HCID 178485686, compound

Sources & evidence

ORD record
ord-77c0e38283b14d5aa3a59163f585121a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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