Potassium Cation → 2-[7-Fluoro-3-(1-tert-butoxycarbonyl-indazol-3-ylmethyl)-2,4-dioxo-5-pyridin-3-yl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

HRID 667098Notes

Reaction equation

HRID 667098 reaction equation
[Br:46][CH2:47][c:48]1[n:49][n:50]([C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]12.[CH3:36][Si:37]([N-:38][Si:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])[CH3:44].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:34][cH:35]1)[N:6]([CH2:19][C:20](=[O:21])[N:22]([c:23]1[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]1)[CH:31]([CH3:32])[CH3:33])[C:7](=[O:18])[CH2:8][C:9](=[O:17])[N:10]2[c:11]1[cH:12][n:13][cH:14][cH:15][cH:16]1.[K+:45].[OH2:75]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:34][cH:35]1)[N:6]([CH2:19][C:20](=[O:21])[N:22]([c:23]1[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]1)[CH:31]([CH3:32])[CH3:33])[C:7](=[O:18])[CH:8]([CH2:47][c:48]1[n:49][n:50]([C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[c:51]3[cH:52][cH:53][cH:54][cH:55][c:56]13)[C:9](=[O:17])[N:10]2[c:11]1[cH:12][n:13][cH:14][cH:15][cH:16]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 3280088Npc316347HCID 108049513-(Bromomethyl)-1H-indazole, N1-BOC protectedHCID 540873952-(7-Fluoro-2,4-dioxo-5-pyridin-3-yl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

Product 1

HCID 867535912-[7-Fluoro-3-(1-tert-butoxycarbonyl-indazol-3-ylmethyl)-2,4-dioxo-5-pyridin-3-yl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

Sources & evidence

ORD record
ord-a690a45dec9147ce8347b10b383e7947
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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