Bromide ion → Anitrazafen

HRID 2151176Notes

Reaction equation

HRID 2151176 reaction equation
[Br-:40].[CH2:6]([Li:7])[CH2:8][CH2:9][CH3:10].[CH3:41][P+:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:11][c:12]1[n:13][n:14][c:15](-[c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[c:16](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[n:17]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O:1]1[CH2:2][CH2:5][CH2:4][CH2:3]1.[OH2:61]>>[CH3:2][c:12]1[n:13][n:14][c:15](-[c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[c:16](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[n:17]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 74506TriphenylmethylphosphoniumHCID 155715943-Chloro-5,6-bis(4-methoxyphenyl)-1,2,4-triazineHCID 178418339Butyllithium

Product 1

HCID 44410Anitrazafen

Sources & evidence

ORD record
ord-e7b6d8aa9fe0419790a73d5737218ecf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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