Potassium Cation → 3-[4'-(5-fluoro-2,3-dihydro-indole-1-carbonyl)-6'-methoxy-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl]-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one

HRID 291607Notes

Reaction equation

HRID 291607 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:20]1)[CH2:8][CH2:9][N:10]([CH:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1)[C:11](=[O:13])[NH:12]2.[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[Cl:21][c:22]1[n:23][c:24]([O:40][CH3:41])[cH:25][c:26]([C:28](=[O:29])[N:30]2[CH2:31][CH2:32][c:33]3[cH:34][c:35]([F:39])[cH:36][cH:37][c:38]32)[cH:27]1.[K+:46].[K+:47].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:20]1)[CH2:8][CH2:9][N:10]([CH:14]1[CH2:15][CH2:16][N:17]([c:22]3[n:23][c:24]([O:40][CH3:41])[cH:25][c:26]([C:28](=[O:29])[N:30]4[CH2:31][CH2:32][c:33]5[cH:34][c:35]([F:39])[cH:36][cH:37][c:38]54)[cH:27]3)[CH2:18][CH2:19]1)[C:11](=[O:13])[NH:12]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 183568527-methoxy-3-(piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-oneHCID 58386441(2-Chloro-6-methoxypyridin-4-yl)-(5-fluoro-2,3-dihydroindol-1-yl)-methanone

Product 1

HCID 426138053-[4'-(5-fluoro-2,3-dihydro-indole-1-carbonyl)-6'-methoxy-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl]-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one

Sources & evidence

ORD record
ord-063af61eb16742d9965deb4962719203
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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