Hydrochloric Acid → HCID 178434762, compound

HRID 112971Notes

Reaction equation

HRID 112971 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[NH:31][C:32]([CH:33]=[CH:34][C:35](=[O:36])[OH:37])([CH3:38])[CH3:39].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:71][CH2:72][N:73]([CH2:74][CH3:75])[CH2:76][CH3:77].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[ClH:1].[ClH:40].[NH2:41][CH:42]([C:43](=[O:44])[NH:45][CH:46]([CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[c:54]1[n:55][c:56]([CH3:59])[n:57][o:58]1)[CH2:60][c:61]1[cH:62][c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[cH:69][cH:70]1.[OH2:13].[OH2:83].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[NH:31][C:32]([CH:33]=[CH:34][C:35](=[O:37])[NH:41][CH:42]([C:43](=[O:44])[NH:45][CH:46]([CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[c:54]1[n:55][c:56]([CH3:59])[n:57][o:58]1)[CH2:60][c:61]1[cH:62][c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[cH:69][cH:70]1)([CH3:38])[CH3:39]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 183183572-amino-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]-3-naphthalen-2-ylpropanamideHCID 543222534-Tertbutoxycarbonylamino-4-methylpent-2-enoic acid

Product 1

HCID 178434762HCID 178434762, compound

Sources & evidence

ORD record
ord-62fd42d4864d4e2ea3c44ebc9ba4c02c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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