Bromide ion → 2-(4-Adamantan-1-yl-phenoxymethyl)-benzoxazole-6-carboxylic acid

HRID 677710Notes

Reaction equation

HRID 677710 reaction equation
[Al+3:33].[Br-:32].[Br-:34].[Br-:35].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][c:10]([CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]([C:20]45[CH2:21][CH:22]6[CH2:23][CH:24]([CH2:25][CH:26]([CH2:27]4)[CH2:28]6)[CH2:29]5)[cH:18][cH:19]3)[o:11]2)[cH:30][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][c:7]2[c:8]([n:9][c:10]([CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]([C:20]45[CH2:21][CH:22]6[CH2:23][CH:24]([CH2:25][CH:26]([CH2:27]4)[CH2:28]6)[CH2:29]5)[cH:18][cH:19]3)[o:11]2)[cH:30][cH:31]1

Participants

8

Reactant 7

HCID 259Bromide ion3×HCID 313Hydrochloric AcidHCID 962WaterHCID 1068Dimethyl SulfideHCID 6344DichloromethaneHCID 104727Aluminum CationHCID 24812204HCID 24812204, compound

Product 1

HCID 249665352-(4-Adamantan-1-yl-phenoxymethyl)-benzoxazole-6-carboxylic acid

Sources & evidence

ORD record
ord-5c7dbfe288aa4957a57ec62607745535
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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