Bromide ion → HCID 13361851, compound

HRID 313310Notes

Reaction equation

HRID 313310 reaction equation
[Br-:50].[CH3:22][S:23]([O:24][CH2:27][CH:28]1[O:29][C:30]([CH2:33][n:34]2[cH:35][n:36][cH:37][cH:38]2)([c:39]2[c:40]([Cl:46])[cH:41][c:42]([Cl:45])[cH:43][cH:44]2)[O:31][CH2:32]1)(=[O:25])=[O:26].[CH3:51][CH2:52][CH2:53][CH2:54][N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Na+:48].[OH-:47].[OH2:49].[OH:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[CH2:6][CH2:5]2>>[O:1]([c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[CH2:6][CH2:5]2)[CH2:27][CH:28]1[O:29][C:30]([CH2:33][n:34]2[cH:35][n:36][cH:37][cH:38]2)([c:39]2[c:40]([Cl:46])[cH:41][c:42]([Cl:45])[cH:43][cH:44]2)[O:31][CH2:32]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 11177254HCID 11177254, compoundHCID 13361836HCID 13361836, compound

Product 1

HCID 13361851HCID 13361851, compound

Sources & evidence

ORD record
ord-8dcac69365b04406809963d7c9583f58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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