Sodium ion → 5,6-Dimethoxy-2-[2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-yl]isoindoline

HRID 292905

Reaction equation

HRID 292905 reaction equation
[CH2:50]([N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[CH3:1][C:2]1([CH3:22])[O:3][c:4]2[c:5]([c:14]([CH3:21])[c:15]([NH2:20])[c:16]([CH3:19])[c:17]2[CH3:18])[CH:6]1[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1.[Cl:23][CH2:24][c:25]1[c:26]([CH2:35][Cl:36])[cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]1.[I-:49].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:43]>>[CH3:1][C:2]1([CH3:22])[O:3][c:4]2[c:5]([c:14]([CH3:21])[c:15]([N:20]3[CH2:24][c:25]4[c:26]([cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]4)[CH2:35]3)[c:16]([CH3:19])[c:17]2[CH3:18])[CH:6]1[c:7]1[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 106853092,2,4,6,7-Pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-amineHCID 109444001,2-Bis(chloromethyl)-4,5-dimethoxybenzene

Product 1

HCID 99119865,6-Dimethoxy-2-[2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-yl]isoindoline

Sources & evidence

ORD record
ord-b69ff6b2759145c1b4501281f6d83933
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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