Imidazole → Hydrochloric Acid

HRID 167028Notes

Reaction equation

HRID 167028 reaction equation
[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:1][CH2:2][CH2:3][C:4](=[O:5])[NH:6][CH:7]1[CH2:8][CH:9]2[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]2[c:15]1[cH:16][cH:17][c:18]([C:25]#[N:26])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12.[Cl:34][CH2:35][Cl:36].[I-:33].[Na+:32].[nH:27]1[cH:28][n:29][cH:30][cH:31]1>>[CH2:2]([CH2:3][C:4](=[O:5])[NH:6][CH:7]1[CH2:8][CH:9]2[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]2[c:15]1[cH:16][cH:17][c:18]([C:25]#[N:26])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12)[n:27]1[cH:28][n:29][cH:30][cH:31]1.[ClH:1]

Participants

8

Reactant 6

HCID 795ImidazoleHCID 923Sodium ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 30165Iodide IonHCID 692265953-Chloro-N-[8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]oct-3-yl]propanamide

Product 2

HCID 313Hydrochloric AcidHCID 69225904N-[8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-imidazol-1-ylpropanamide

Sources & evidence

ORD record
ord-19b9f07ae47f4f98999adcc298b77293
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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