Bromide ion → HCID 21182927, compound

HRID 2127354Notes

Reaction equation

HRID 2127354 reaction equation
[Al+3:49].[Br-:48].[Br-:50].[Br-:51].[CH3:23][O:24][c:25]1[cH:26][cH:27][c:28]2[c:29]([s:30][c:31](-[c:33]3[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]4[CH2:43][CH2:44][CH2:45][CH2:46]4)[cH:37][cH:38]3)[cH:32]2)[cH:47]1.[N:1]1([CH:7]2[CH:8]([O:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]3)[CH2:9][CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[S:52]([Cl:53])([Cl:54])=[O:55]>>[N:1]1([CH:7]2[CH:8]([O:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[c:32]4[c:28]5[cH:27][cH:26][c:25]([O:24][CH3:23])[cH:47][c:29]5[s:30][c:31]4-[c:33]4[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]5[CH2:43][CH2:44][CH2:45][CH2:46]5)[cH:37][cH:38]4)[cH:21][cH:22]3)[CH2:9][CH2:10][CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 259Bromide ion3×HCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 104727Aluminum CationHCID 106894206-Methoxy-2-[4-(2-(1-pyrrolidinyl)ethoxy)phenyl]benzo[b]thiopheneHCID 21182621HCID 21182621, compound

Product 1

HCID 21182927HCID 21182927, compound

Sources & evidence

ORD record
ord-a9218aac99b0487e8f0c23d3bf8de60f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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