Bromide ion → HCID 23729497, compound

HRID 142115Notes

Reaction equation

HRID 142115 reaction equation
[Br-:52].[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH:1]1([CH2:4][N:5]([c:6]2[n:7][c:8]3[c:9]([CH3:41])[cH:10][cH:11][cH:12][c:13]3[cH:14][c:15]2[CH2:16][N:17]([c:18]2[n:19][n:20][n:21]([CH2:23][CH2:24][OH:25])[n:22]2)[CH2:26][c:27]2[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]2)[CH2:42][CH:43]2[CH2:44][CH2:45]2)[CH2:2][CH2:3]1.[Cl:49][CH2:50][Cl:51].[Na+:47].[OH-:46].[OH2:48]>>[CH:1]1([CH2:4][N:5]([c:6]2[n:7][c:8]3[c:9]([CH3:41])[cH:10][cH:11][cH:12][c:13]3[cH:14][c:15]2[CH2:16][N:17]([c:18]2[n:19][n:20][n:21]([CH2:23][CH2:24][O:25][CH3:50])[n:22]2)[CH2:26][c:27]2[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]2)[CH2:42][CH:43]2[CH2:44][CH2:45]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 23729469HCID 23729469, compound

Product 1

HCID 23729497HCID 23729497, compound

Sources & evidence

ORD record
ord-973c9426047f409da316ab1a71c23232
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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