Acetonitrile → 1-O-tert-butyl 2-O-(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl) 4-methylpyrrolidine-1,2-dicarboxylate

HRID 112138Notes

Reaction equation

HRID 112138 reaction equation
[Br:1][CH:2]1[C:3](=[O:21])[c:4]2[c:5]([cH:6][c:7]3[c:12]([cH:13]2)[O:11][CH2:10][c:9]2[c:8]-3[cH:17][cH:16][c:15]([Cl:18])[cH:14]2)[CH2:19][CH2:20]1.[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH:30]([C:35](=[O:36])[OH:37])[CH2:31][CH:32]([CH3:34])[CH2:33]1.[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46]>>[CH:2]1([O:37][C:35]([CH:30]2[N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:33][CH:32]([CH3:34])[CH2:31]2)=[O:36])[C:3](=[O:21])[c:4]2[c:5]([cH:6][c:7]3[c:12]([cH:13]2)[O:11][CH2:10][c:9]2[c:8]-3[cH:17][cH:16][c:15]([Cl:18])[cH:14]2)[CH2:19][CH2:20]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 212513481-(Tert-butoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acidHCID 696732929-bromo-3-chloro-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

Product 1

HCID 773354261-O-tert-butyl 2-O-(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl) 4-methylpyrrolidine-1,2-dicarboxylate

Sources & evidence

ORD record
ord-114a5b8fa72240cba90cb1c0e54b949c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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