Hydrochloric Acid → 1-{[2-(Hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

HRID 110104Notes

Reaction equation

HRID 110104 reaction equation
[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[C:7]1([NH2:12])[CH:8]([CH:10]=[CH2:11])[CH2:9]1.[CH2:37]([CH2:38][CH2:39][CH2:40][CH:41]=[CH2:42])[N:43]([C:44](=[O:45])[CH:46]1[CH:47]([C:52](=[O:53])[OH:54])[CH2:48][CH:49]([OH:51])[CH2:50]1)[CH3:55].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[ClH:1].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[C:7]1([NH:12][C:52]([CH:47]2[CH:46]([C:44]([N:43]([CH2:37][CH2:38][CH2:39][CH2:40][CH:41]=[CH2:42])[CH3:55])=[O:45])[CH2:50][CH:49]([OH:51])[CH2:48]2)=[O:53])[CH:8]([CH:10]=[CH2:11])[CH2:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22082824Ethyl 1-amino-2-vinylcyclopropanecarboxylateHCID 684256202-(Hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarboxylic acid

Product 1

HCID 668706071-{[2-(Hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-8e256b1c9e2448409171c778a5f9f4c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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