Bromide ion → HCID 21243176, compound

HRID 309251Notes

Reaction equation

HRID 309251 reaction equation
[Br-:51].[Br:28][CH2:29][C:30]1([c:41]2[c:42]([Cl:48])[cH:43][c:44]([Cl:47])[cH:45][cH:46]2)[O:31][CH2:32][CH:33]([CH2:35][O:36][S:37]([CH3:38])(=[O:39])=[O:40])[O:34]1.[CH3:52][CH2:53][CH2:54][CH2:55][N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Na+:50].[OH-:49].[OH:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([c:14]3[cH:15][c:16](-[c:21]4[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]4)[n:17][c:18]([CH3:20])[n:19]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([c:14]3[cH:15][c:16](-[c:21]4[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]4)[n:17][c:18]([CH3:20])[n:19]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1)[CH2:35][CH:33]1[CH2:32][O:31][C:30]([CH2:29][Br:28])([c:41]2[c:42]([Cl:48])[cH:43][c:44]([Cl:47])[cH:45][cH:46]2)[O:34]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 14074107HCID 14074107, compoundHCID 15576452HCID 15576452, compound

Product 1

HCID 21243176HCID 21243176, compound

Sources & evidence

ORD record
ord-69aa7c5c80674ccb8098c5abc8d85d1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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