Chloride → [1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methyl N-[2-hydroxy-1-oxo-1-(1-phenylethylamino)heptan-3-yl]carbamate

HRID 1222793Notes

Reaction equation

HRID 1222793 reaction equation
[CH3:1][n:2]1[c:3]([S:7][CH2:8][C:9]2([CH2:13][OH:14])[CH2:10][CH2:11][CH2:12]2)[n:4][cH:5][cH:6]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl-:48].[Cl:15][C:16]([Cl:17])=[O:18].[Cl:49][CH2:50][Cl:51].[NH2:19][CH:20]([CH:21]([C:22](=[O:23])[NH:24][CH:25]([CH3:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[OH:33])[CH2:34][CH2:35][CH2:36][CH3:37].[Na+:47].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH3:1][n:2]1[c:3]([S:7][CH2:8][C:9]2([CH2:13][O:14][C:16](=[O:18])[NH:19][CH:20]([CH:21]([C:22](=[O:23])[NH:24][CH:25]([CH3:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[OH:33])[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:10][CH2:11][CH2:12]2)[n:4][cH:5][cH:6]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 11435800(1-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}cyclobutyl)methanolHCID 1784466363-amino-2-hydroxy-N-(1-phenylethyl)heptanamide

Product 1

HCID 178446742[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclobutyl]methyl N-[2-hydroxy-1-oxo-1-(1-phenylethylamino)heptan-3-yl]carbamate

Sources & evidence

ORD record
ord-23f62067221e4a9490ee501439970360
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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