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

HRID 159663Notes

Reaction equation

HRID 159663 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]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][cH:36][c:37]([C:40]3([NH:44][C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH2:41][O:42][CH2:43]3)[cH:38][cH:39]2)[O:52]1.[K+:58].[K+:59].[K+:60].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[OH2:67].[P:53]([O-:54])([O-:55])([O-:56])=[O:57]>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]([C:40]3([NH:44][C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH2:41][O:42][CH2:43]3)[cH:38][cH:39]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 675030133-bromo-2-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepineHCID 68067328HCID 68067328, compound

Product 1

HCID 69087676tert-butyl {3-[4-(2-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]oxetan-3-yl}carbamate

Sources & evidence

ORD record
ord-ce1b1f48f72a45539f30589d04bfd8e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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