Bicarbonate Ion → 4-[(Tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-7-(2-chloro-ethyl)-6-oxo-1-oxa-5-aza-spiro[2.4]heptane-4-carboxylic acid methyl ester

HRID 207093

Reaction equation

HRID 207093 reaction equation
[C:59](=[O:60])([OH:61])[O-:62].[CH2:3]([N:4]([CH2:5][C:6]([OH:7])=[O:9])[CH2:10][C:11]([OH:12])=[O:13])[CH2:14][N:15]([CH2:16][C:17]([OH:18])=[O:19])[CH2:20][C:21](=[O:8])[OH:22].[CH3:23][O:24][C:25](=[O:26])[C:27]1([CH:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[O:44][Si:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[CH3:51])[NH:28][C:29](=[O:36])[CH:30]([CH2:33][CH2:34][Cl:35])[C:31]1=[CH2:32].[CH3:64][C:65]#[N:66].[F:52][C:53]([F:54])([F:55])[C:56](=[O:57])[CH3:58].[Na+:63].[Na:1].[Na:2].[OH2:67]>>[O:8]1[C:31]2([C:27]([C:25]([O:24][CH3:23])=[O:26])([CH:37]([CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[O:44][Si:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[CH3:51])[NH:28][C:29](=[O:36])[CH:30]2[CH2:33][CH2:34][Cl:35])[CH2:32]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6049Ethylenediaminetetraacetic AcidHCID 6342AcetonitrileHCID 9871Methyl trifluoromethyl ketoneHCID 5360545Sodium2×HCID 685773462-[(Tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-4-(2-chloro-ethyl)-3-methylene-5-oxo-pyrrolidine-2-carboxylic acid methyl ester

Product 1

HCID 766116584-[(Tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-7-(2-chloro-ethyl)-6-oxo-1-oxa-5-aza-spiro[2.4]heptane-4-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-69e87b6825ef40119bcc43c8de6a025d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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