Hydrochloric Acid → 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-N,N-dimethylacetamide

HRID 2334440Notes

Reaction equation

HRID 2334440 reaction equation
[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:31][N:32]([C:33]([CH2:34][Cl:35])=[O:36])[CH3:37].[CH:2]([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH3:30])[n:8][c:9]1-[c:10]1[cH:11][n:12]2[c:18]([n:19]1)-[c:17]1[c:16]([cH:23][c:22]([CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[cH:21][cH:20]1)[O:15][CH2:14][CH2:13]2.[Cl:38][CH2:39][Cl:40].[ClH:1].[I-:41]>>[CH:2]([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH3:30])[n:8][c:9]1-[c:10]1[cH:11][n:12]2[c:18]([n:19]1)-[c:17]1[c:16]([cH:23][c:22]([CH:24]3[CH2:25][CH2:26][N:27]([CH2:34][C:33]([N:32]([CH3:31])[CH3:37])=[O:36])[CH2:28][CH2:29]3)[cH:21][cH:20]1)[O:15][CH2:14][CH2:13]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 758862-chloro-N,N-dimethylacetamideHCID 582045042-(5-Methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-9-piperidin-4-yl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

Product 1

HCID 582049522-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-N,N-dimethylacetamide

Sources & evidence

ORD record
ord-1e31fe28ed8343f59247d956901e5ea4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…