Tetrahydrofuran → 1-Azabicyclo[2.2.2]octan-3-yl 2-(4-chloroanilino)-2-phenylacetate

HRID 686980

Reaction equation

HRID 686980 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH:19]1([N:20]=[C:21]=[N:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]([C:10](=[O:11])[OH:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1.[N:44]12[CH2:45][CH:46]([OH:52])[CH:47]([CH2:48][CH2:49]1)[CH2:50][CH2:51]2.[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]([C:10](=[O:11])[O:12][CH:46]2[CH2:45][N:44]3[CH2:49][CH2:48][CH:47]2[CH2:50][CH2:51]3)[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 10868DicyclohexylcarbodiimideHCID 15381(+-)-3-QuinuclidinolHCID 757711-HydroxybenzotriazoleHCID 305145(4-Chloro-phenylamino)-phenyl-acetic acid

Product 1

HCID 671248471-Azabicyclo[2.2.2]octan-3-yl 2-(4-chloroanilino)-2-phenylacetate

Sources & evidence

ORD record
ord-ace0d67b7f664fb1a7c0481eeade4457
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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