Acetic Acid → 2,2-Dimethyl-3-[4-({[(2'-oxospiro[cyclopentane-1,3'-indol]-1'(2'H)-yl)carbonyl]amino}methyl)piperidin-1-yl]propanoic acid

HRID 200097

Reaction equation

HRID 200097 reaction equation
[CH3:1][C:2]([C:3](=[O:4])[O:5][CH3:6])([CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][C:16](=[O:17])[N:18]2[C:19](=[O:31])[C:20]3([CH2:21][CH2:22][CH2:23][CH2:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]32)[CH2:12][CH2:13]1)[CH3:32].[CH3:46][C:47](=[O:48])[OH:49].[Cl:43][CH2:44][Cl:45].[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[OH2:50].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH2:7][N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][C:16](=[O:17])[N:18]2[C:19](=[O:31])[C:20]3([CH2:21][CH2:22][CH2:23][CH2:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]32)[CH2:12][CH2:13]1)[CH3:32]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 67232986Methyl 2,2-dimethyl-3-[4-({[(2'-oxospiro[cyclopentane-1,3'-indol]-1'(2'H)-yl)carbonyl]amino}methyl)piperidin-1-yl]propanoate

Product 1

HCID 119979742,2-Dimethyl-3-[4-({[(2'-oxospiro[cyclopentane-1,3'-indol]-1'(2'H)-yl)carbonyl]amino}methyl)piperidin-1-yl]propanoic acid

Sources & evidence

ORD record
ord-78259fcd9a3d4e4c9114087363f35839
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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