Benzene → HCID 10187850, compound

HRID 2161628Notes

Reaction equation

HRID 2161628 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:40])[CH2:8][CH:9]([N:20]([C:21](=[O:22])[O:23][CH3:24])[CH2:25][c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:10]2[cH:11][c:12]([CH2:18][Br:17])[c:13]([CH2:16][Br:19])[cH:14][c:15]21.[CH2:50]([N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl-:49].[Na+:42].[OH-:41].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:40])[CH2:8][CH:9]([N:20]([C:21](=[O:22])[O:23][CH3:24])[CH2:25][c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]21)[CH2:16][O:41][CH2:18]3

Participants

8

Reactant 7

HCID 241BenzeneHCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 124611Benzyltributylammonium bromideHCID 57101238HCID 57101238, compound

Product 1

HCID 10187850HCID 10187850, compound

Sources & evidence

ORD record
ord-ecdac6deee1348ccbfb2469be20fb61e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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