Sodium ion → tert-Butyl (1-{4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate

HRID 178043Notes

Reaction equation

HRID 178043 reaction equation
[Br:1][c:2]1[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1.[C:57](=[O:58])([O-:59])[O-:60].[CH3:38][C:39]1([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44][B:45]([c:46]2[cH:47][c:48]3[c:49]([cH:54][cH:55]2)[C:50](=[O:53])[O:51][CH2:52]3)[O:56]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[Na+:61].[Na+:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67]>>[c:2]1(-[c:46]2[cH:47][c:48]3[c:49]([cH:54][cH:55]2)[C:50](=[O:53])[O:51][CH2:52]3)[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 580746235-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-oneHCID 136331865tert-butyl {1-[4-(2-bromo-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate

Product 1

HCID 69087728tert-Butyl (1-{4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate

Sources & evidence

ORD record
ord-06e023d09b1f45879bfe4329860628f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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