Hydrochloric Acid → AC1Mqrfj

HRID 194855Notes

Reaction equation

HRID 194855 reaction equation
[C:28]([Cl:29])(=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][C:14]([NH2:15])=[O:16])[C:17](=[O:18])[OH:19].[CH3:20][CH2:21][N:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1.[CH3:35][O:36][C:37]([CH:38]([NH2:39])[CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47].[Cl:49][CH2:50][Cl:51].[ClH:48].[cH:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][C:14]([NH2:15])=[O:16])[C:17](=[O:19])[NH:39][CH:38]([C:37]([O:36][CH3:35])=[O:47])[CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 6344DichloromethaneHCID 13007N-EthylpiperidineHCID 62493Pivaloyl chlorideHCID 75737DL-Phenylalanine, methyl esterHCID 246565Carbobenzoxy-L-asparagine

Product 1

HCID 3456353AC1Mqrfj

Sources & evidence

ORD record
ord-629c049973314194a0650c03b5cb0121
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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