Bromide ion → Tert-butyl [6-(4-acetyl-1,3-thiazol-2-yl)-2-isobutyl-4-(4-methylphenyl)-3-quinolinyl]methylcarbamate

HRID 2155408Notes

Reaction equation

HRID 2155408 reaction equation
[Br-:42].[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10](-[c:31]3[s:32][cH:33][c:34]([C:36](=[O:37])[N:38]([O:39][CH3:40])[CH3:41])[n:35]3)[cH:11][c:12]2[c:13](-[c:24]2[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]2)[c:14]1[CH2:15][NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[CH3:43][Mg+:44].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:45]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10](-[c:31]3[s:32][cH:33][c:34]([C:36](=[O:37])[CH3:43])[n:35]3)[cH:11][c:12]2[c:13](-[c:24]2[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]2)[c:14]1[CH2:15][NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23]

Participants

6

Reactant 5

HCID 259Bromide ionHCID 962WaterHCID 8028TetrahydrofuranHCID 86605647Tert-butyl {[2-isobutyl-6-(4-{[methoxy(methyl)amino]carbonyl}-1,3-thiazol-2-yl)-4-(4-methylphenyl)quinolin-3-yl]methyl}carbamateHCID 178477777HCID 178477777, compound

Product 1

HCID 86605648Tert-butyl [6-(4-acetyl-1,3-thiazol-2-yl)-2-isobutyl-4-(4-methylphenyl)-3-quinolinyl]methylcarbamate

Sources & evidence

ORD record
ord-68bbbda92deb452f87d52101c2cf0034
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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