Benzene → HCID 178466885, compound

HRID 2326810Notes

Reaction equation

HRID 2326810 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](=[O:37])[nH:5][c:6](=[O:36])[n:7]([CH:8]2[CH2:9][CH:10]([OH:11])[CH:12]([CH2:13][O:14][C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[O:34]2)[cH:35]1.[CH2:40]([CH3:41])[I:42].[K+:39].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH-:38].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:1]([CH3:2])[c:3]1[c:4](=[O:37])[nH:5][c:6](=[O:36])[n:7]([CH:8]2[CH2:9][CH:10]([O:11][CH2:40][CH3:41])[CH:12]([CH2:13][O:14][C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[O:34]2)[cH:35]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 813Potassium CationHCID 961HydroxideHCID 6340IodoethaneHCID 312751,4-DioxaneHCID 178437046HCID 178437046, compound

Product 1

HCID 178466885HCID 178466885, compound

Sources & evidence

ORD record
ord-70df4bff4e754dc9a78a6ab5f5bb9307
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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