Bromide ion → HCID 178442307, compound

HRID 1230894Notes

Reaction equation

HRID 1230894 reaction equation
[Al+3:47].[Br-:46].[Br-:48].[Br-:49].[CH3:43][S:44][CH3:45].[CH3:53][C:54]#[N:55].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[Cl:1][c:2]1[c:3]([F:42])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[n:32][cH:33][c:34]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[n:35][cH:36]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:50][CH2:51][Cl:52].[OH2:62]>>[Cl:1][c:2]1[c:3]([F:42])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[n:32][cH:33][c:34]([C:37](=[O:38])[OH:39])[n:35][cH:36]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 259Bromide ion3×HCID 962WaterHCID 1068Dimethyl SulfideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 178469835HCID 178469835, compound

Product 1

HCID 178442307HCID 178442307, compound

Sources & evidence

ORD record
ord-9b5bf72b7f1b4dc8bdd8009a6cd8e26f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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