Bromide ion → HCID 46947036, compound

HRID 1574961Notes

Reaction equation

HRID 1574961 reaction equation
[Al+3:42].[Br-:41].[Br-:43].[Br-:44].[C:59](=[O:60])([OH:61])[O-:62].[CH3:45][O:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:14][CH:13]([CH2:15][c:16]3[cH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]3)[C:12](=[O:26])[N:11]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:32][CH3:33])[cH:34][cH:35]3)[c:10]3[c:9]2[cH:39][c:38]([Cl:40])[cH:37][cH:36]3)[cH:6][n:7]1.[Na+:63]>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:14][CH:13]([CH2:15][c:16]3[cH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]3)[C:12](=[O:26])[NH:11][c:10]3[c:9]2[cH:39][c:38]([Cl:40])[cH:37][cH:36]3)[cH:6][n:7]1

Participants

8

Reactant 7

HCID 259Bromide ion3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 7519AnisoleHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 67283437HCID 67283437, compound

Product 1

HCID 46947036HCID 46947036, compound

Sources & evidence

ORD record
ord-b6a1551c36c945a68e83517f6da12d81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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