Diethylamine → 3-[5-(3-Diethylamino-propyl)-3,3-dimethyl-3H-isobenzofuran-1-ylidene]-5-fluoro-1,3-dihydro-indol-2-one

HRID 95516Notes

Reaction equation

HRID 95516 reaction equation
[CH2:31]([CH3:32])[NH:33][CH2:34][CH3:35].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[C:12]1[O:13][C:14]([CH3:29])([CH3:30])[c:15]2[cH:16][c:17]([CH2:21][CH2:22][CH2:23][O:24][S:25]([CH3:26])(=[O:27])=[O:28])[cH:18][cH:19][c:20]21.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[C:12]1[O:13][C:14]([CH3:29])([CH3:30])[c:15]2[cH:16][c:17]([CH2:21][CH2:22][CH2:23][N:33]([CH2:31][CH3:32])[CH2:34][CH3:35])[cH:18][cH:19][c:20]21

Participants

5

Reactant 4

HCID 8021DiethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 76823955Methanesulfonic acid 3-[1-(5-fluoro-2-oxo-1,2-dihydro-indol-3-ylidene)-3,3-dimethyl-1,3-dihydro-isobenzofuran-5-yl]-propyl ester

Product 1

HCID 687174703-[5-(3-Diethylamino-propyl)-3,3-dimethyl-3H-isobenzofuran-1-ylidene]-5-fluoro-1,3-dihydro-indol-2-one

Sources & evidence

ORD record
ord-d9c818adc7e646e6803c4069bf4af2f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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