Ethylene Glycol → 3-(Cycloprop-2-enecarbonyl)-3H-benzoxazol-2-one

HRID 1135946

Reaction equation

HRID 1135946 reaction equation
[C:14]12([Cl:15])[CH2:16][CH:17]3[CH2:18][CH:19]([CH2:20][CH:21]([CH2:22]3)[CH2:23]1)[CH2:24]2.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:41][N:42]([CH3:43])[c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1.[CH3:50][CH2:51][OH:52].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[CH:1]1([C:4](=[O:5])[OH:6])[CH:2]=[CH:3]1.[Cl-:25].[Li+:26].[OH:37][CH2:38][CH2:39][OH:40].[o:27]1[c:28](=[O:36])[nH:29][c:30]2[c:31]1[cH:32][cH:33][cH:34][cH:35]2>>[CH:1]1([C:4](=[O:6])[n:29]2[c:28](=[O:36])[o:27][c:31]3[c:30]2[cH:35][cH:34][cH:33][cH:32]3)[CH:2]=[CH:3]1

Participants

11

Reactant 10

HCID 174Ethylene GlycolHCID 312ChlorideHCID 702EthanolHCID 60432(3H)-BenzoxazoloneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 28486Lithium ionHCID 641541-ChloroadamantaneHCID 252416292-Cyclopropene-1-carboxylic acid

Product 1

HCID 575524853-(Cycloprop-2-enecarbonyl)-3H-benzoxazol-2-one

Sources & evidence

ORD record
ord-5d96c6f6df304ad48e4c0b56c3ea1d00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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