Potassium Cation → tert-butyl {1-methyl-1-[4-(2-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl) phenyl]ethyl}carbamate

HRID 92551Notes

Reaction equation

HRID 92551 reaction equation
[Br:1][c:2]1[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:16][cH:17][cH:18][cH:19]1)[NH:9][c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1.[CH3:26][C:27]([CH3:28])([c:29]1[cH:30][cH:31][c:32]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:33][cH:34]1)[NH:44][C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51].[K+:57].[K+:58].[K+:59].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH2:66].[P:52]([O-:53])([O-:54])([O-:55])=[O:56]>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([C:27]([CH3:26])([CH3:28])[NH:44][C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[cH:34][cH:33]2)[c:3](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:16][cH:17][cH:18][cH:19]1)[NH:9][c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 231344434-[2-(Boc-amino)-2-propyl]phenylboronic Acid Pinacol EsterHCID 675030133-bromo-2-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepine

Product 1

HCID 69087668tert-butyl {1-methyl-1-[4-(2-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl) phenyl]ethyl}carbamate

Sources & evidence

ORD record
ord-4ee9c4627eb9481e924dc519e220c668
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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