Bromide ion → 2-(4-Adamantan-1-yl-phenoxymethyl)-benzoxazole-5-carboxylic acid

HRID 1549032Notes

Reaction equation

HRID 1549032 reaction equation
[Al+3:33].[Br-:32].[Br-:34].[Br-:35].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([n:10][c:11]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([C:21]45[CH2:22][CH:23]6[CH2:24][CH:25]([CH2:26][CH:27]([CH2:28]4)[CH2:29]6)[CH2:30]5)[cH:19][cH:20]3)[o:12]2)[cH:31]1.[CH3:38][S:39][CH3:40].[Cl:41][CH2:42][Cl:43].[ClH:37].[OH2:36]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([n:10][c:11]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([C:21]45[CH2:22][CH:23]6[CH2:24][CH:25]([CH2:26][CH:27]([CH2:28]4)[CH2:29]6)[CH2:30]5)[cH:19][cH:20]3)[o:12]2)[cH:31]1

Participants

8

Reactant 7

HCID 259Bromide ion3×HCID 313Hydrochloric AcidHCID 962WaterHCID 1068Dimethyl SulfideHCID 6344DichloromethaneHCID 104727Aluminum CationHCID 24812203HCID 24812203, compound

Product 1

HCID 249665342-(4-Adamantan-1-yl-phenoxymethyl)-benzoxazole-5-carboxylic acid

Sources & evidence

ORD record
ord-9d59665663d04a689c43dcd02fdb8936
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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