Hydrochloric Acid → N-isopropyl-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)acetamide

HRID 1213552Notes

Reaction equation

HRID 1213552 reaction equation
[CH2:50]([N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[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][CH:43]([CH3:44])[CH3:45].[Cl:46][CH2:47][Cl:48].[ClH:1].[I-:49]>>[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][CH:43]([CH3:44])[CH3:45])[CH2:28][CH2:29]3)[cH:21][cH:20]1)[O:15][CH2:14][CH2:13]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 761712-chloro-N-(1-methylethyl)acetamideHCID 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 68355389N-isopropyl-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)acetamide

Sources & evidence

ORD record
ord-73613b0ab6754b48976352bdb64496ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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