Hydrochloric Acid → SB-649,915

HRID 689958Notes

Reaction equation

HRID 689958 reaction equation
[Br:20][CH2:21][CH2:22][O:23][c:24]1[c:25]2[cH:26][cH:27][c:28]([CH3:34])[n:29][c:30]2[cH:31][cH:32][cH:33]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[CH:44]([OH:45])([CH3:46])[CH3:47].[ClH:1].[NH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:19]2)[NH:14][C:15](=[O:18])[CH2:16][O:17]3)[CH2:6][CH2:7]1>>[N:2]1([CH2:21][CH2:22][O:23][c:24]2[c:25]3[cH:26][cH:27][c:28]([CH3:34])[n:29][c:30]3[cH:31][cH:32][cH:33]2)[CH2:3][CH2:4][CH:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:19]2)[NH:14][C:15](=[O:18])[CH2:16][O:17]3)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 117371925-(2-Bromoethoxy)-2-methylquinolineHCID 223266526-(Piperidin-4-ylmethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

Product 1

HCID 10296414SB-649,915

Sources & evidence

ORD record
ord-6c85c0244dbc474494307914ac49cafe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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