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-methylacetamide

HRID 667263Notes

Reaction equation

HRID 667263 reaction equation
[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][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][C:40](=[O:41])[NH:42][CH3:43].[ClH:1].[I-:44]>>[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]([CH2:39][C:40](=[O:41])[NH:42][CH3:43])[CH2:28][CH2:29]3)[cH:21][cH:20]1)[O:15][CH2:14][CH2:13]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 667732-chloro-N-methylacetamideHCID 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 683553782-(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-methylacetamide

Sources & evidence

ORD record
ord-bc3793839d864c94b4e08b8f7c070383
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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