Hydrochloric Acid → 2-(1-Ethoxycarbonyl-2-vinylcyclopropylcarbamoyl)-4-hydroxycyclopentanecarboxylic acid tert-butyl ester

HRID 1235899Notes

Reaction equation

HRID 1235899 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH:9]2[C:10](=[O:15])[O:11][CH:12]([CH2:13]1)[CH2:14]2.[CH2:20]([CH3:21])[O:22][C:23](=[O:24])[C:25]1([NH2:30])[CH:26]([CH:28]=[CH2:29])[CH2:27]1.[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[ClH:18].[ClH:19].[Li+:16].[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[OH-:17].[OH2:64].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH:9]([C:10](=[O:15])[NH:30][C:25]2([C:23]([O:22][CH2:20][CH3:21])=[O:24])[CH:26]([CH:28]=[CH2:29])[CH2:27]2)[CH2:14][CH:12]([OH:11])[CH2:13]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 961HydroxideHCID 962WaterHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22082824Ethyl 1-amino-2-vinylcyclopropanecarboxylateHCID 591654183-Oxo-2-oxa-bicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl ester

Product 1

HCID 668714182-(1-Ethoxycarbonyl-2-vinylcyclopropylcarbamoyl)-4-hydroxycyclopentanecarboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-51f34895df554d3bbe43350dd7b046a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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