1-Butanol → 2-(8-tert-Butyl-5-oxo-2,3-dihydro-5H-benzo[f][1,4]oxazepin-4-yl)-6-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-benzaldehyde

HRID 665208Notes

Reaction equation

HRID 665208 reaction equation
[Br:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([N:10]2[CH2:11][CH2:12][O:13][c:14]3[c:15]([cH:18][cH:19][c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]3)[C:16]2=[O:17])[cH:7][cH:8][cH:9]1.[CH2:66]([OH:67])[CH2:68][CH2:69][CH3:70].[CH3:26][n:27]1[c:28](=[O:57])[c:29]([NH:42][c:43]2[n:44][cH:45][c:46]([C:49](=[O:50])[N:51]3[CH2:52][CH2:53][O:54][CH2:55][CH2:56]3)[cH:47][cH:48]2)[cH:30][c:31]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:32]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[K+:63].[K+:64].[K+:65].[OH2:77].[P:58]([O-:59])([O-:60])([O-:61])=[O:62]>>[c:2]1(-[c:31]2[cH:30][c:29]([NH:42][c:43]3[n:44][cH:45][c:46]([C:49](=[O:50])[N:51]4[CH2:52][CH2:53][O:54][CH2:55][CH2:56]4)[cH:47][cH:48]3)[c:28](=[O:57])[n:27]([CH3:26])[cH:32]2)[c:3]([CH:4]=[O:5])[c:6]([N:10]2[CH2:11][CH2:12][O:13][c:14]3[c:15]([cH:18][cH:19][c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]3)[C:16]2=[O:17])[cH:7][cH:8][cH:9]1

Participants

8

Reactant 7

HCID 2631-ButanolHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 592164661-Methyl-3-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-oneHCID 595485352-Bromo-6-(8-tert-butyl-5-oxo-2,3-dihydro-5H-benzo[f][1,4]oxazepin-4-yl)benzaldehyde

Product 1

HCID 595485232-(8-tert-Butyl-5-oxo-2,3-dihydro-5H-benzo[f][1,4]oxazepin-4-yl)-6-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-benzaldehyde

Sources & evidence

ORD record
ord-96a7fd7963ba49e6be9d8ab490a11f22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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