Hydrochloric Acid → Hydrochloric Acid

HRID 1149094Notes

Reaction equation

HRID 1149094 reaction equation
[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[ClH:28].[I:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1.[NH2:17][c:18]1[cH:19][c:20]([B:25]([OH:26])[OH:27])[cH:21][cH:22][c:23]1[CH3:24]>>[ClH:28].[c:2]1(-[c:20]2[cH:19][c:18]([NH2:17])[c:23]([CH3:24])[cH:22][cH:21]2)[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 2737803(3-Amino-4-methylphenyl)boronic acidHCID 210726043-(4-Iodophenoxy)-1-azabicyclo[2.2.2]octane

Product 2

HCID 313Hydrochloric AcidHCID 114610065-[4-(1-Azabicyclo[2.2.2]octan-3-yloxy)phenyl]-2-methylaniline

Sources & evidence

ORD record
ord-7e26afe11b0345d181bb7775893fb573
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…