1,2-Dichloroethane → Methyl 4-({[4-(1-adamantyl)phenoxy]acetyl}amino)benzoate

HRID 318198Notes

Reaction equation

HRID 318198 reaction equation
[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[OH:19])[cH:20][cH:21]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:57]([Cl:58])[CH2:59][Cl:60].[CH3:22][O:23][C:24]([c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1)=[O:32].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:33][SH:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[N:41]=[CH:42]1>>[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[NH:31][c:28]4[cH:27][cH:26][c:25]([C:24]([O:23][CH3:22])=[O:32])[cH:30][cH:29]4)[cH:20][cH:21]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 12082Methyl 4-aminobenzoateHCID 81531DiisopropylethylamineHCID 625381PMID26882240-Compound-8HCID 178527226HCID 178527226, compound

Product 1

HCID 3470321Methyl 4-({[4-(1-adamantyl)phenoxy]acetyl}amino)benzoate

Sources & evidence

ORD record
ord-d92ee938640e42eaabd016e5839c67da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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