Benzene → HCID 15079924, compound

HRID 168509Notes

Reaction equation

HRID 168509 reaction equation
[Br-:27].[CH2:28]([P+:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[CH3:1][c:2]1[n:3][c:4]([S:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[O:23])[cH:14][cH:15]2)[n:5][c:6]([CH3:8])[cH:7]1.[CH3:24][I:25].[Na+:46].[OH-:45].[OH2:26].[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][c:2]1[n:3][c:4]([S:9][c:10]2[cH:11][cH:12][c:13]([N:16]([C:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[O:23])[CH3:24])[cH:14][cH:15]2)[n:5][c:6]([CH3:8])[cH:7]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6328Methyl iodideHCID 75312Tetrabutylphosphonium cationHCID 15079923HCID 15079923, compound

Product 1

HCID 15079924HCID 15079924, compound

Sources & evidence

ORD record
ord-dbd1f6d2adcf45a7b7155588979df6ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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