Ammonium → HCID 66778769, compound

HRID 211650Notes

Reaction equation

HRID 211650 reaction equation
[CH2:29]([CH3:30])[O:31][C:32]([CH2:33][CH2:34][NH2:35])=[O:36].[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH:1]1([CH:7]([c:8]2[s:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][cH:15][cH:16][cH:17]3)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[n:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:60].[ClH:28].[ClH:48].[NH4+:61].[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH:1]1([CH:7]([c:8]2[s:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][cH:15][cH:16][cH:17]3)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:25](=[O:27])[NH:35][CH2:34][CH2:33][C:32]([O:31][CH2:29][CH3:30])=[O:36])[n:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 419889Ethyl 3-aminopropanoateHCID 66777565HCID 66777565, compound

Product 1

HCID 66778769HCID 66778769, compound

Sources & evidence

ORD record
ord-16b563eeca7d4d708fffd95f4ae8077e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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