Water → tert-butyl 6-(6-(6-(2-(acetoxymethyl)-3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)phenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-ylamino)pyridin-3-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
Reaction equation
[C:31]([CH3:32])(=[O:33])[O:34][CH2:35][c:36]1[c:37](-[n:51]2[c:52](=[O:66])[c:53]3[c:54]([F:65])[cH:55][c:56]([C:61]([CH3:62])([CH3:63])[CH3:64])[cH:57][c:58]3[cH:59][n:60]2)[cH:38][cH:39][cH:40][c:41]1[B:42]1[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]1.[C:67](=[O:68])([O-:69])[O-:70].[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][C:19]4([CH2:20][N:21]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:22]4)[CH2:30]3)[cH:15][n:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[Cl:79][CH2:80][Cl:81].[Cs+:71].[Cs+:72].[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[OH2:82]>>[c:2]1(-[c:41]2[c:36]([CH2:35][O:34][C:31]([CH3:32])=[O:33])[c:37](-[n:51]3[c:52](=[O:66])[c:53]4[c:54]([F:65])[cH:55][c:56]([C:61]([CH3:62])([CH3:63])[CH3:64])[cH:57][c:58]4[cH:59][n:60]3)[cH:38][cH:39][cH:40]2)[cH:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][C:19]4([CH2:20][N:21]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:22]4)[CH2:30]3)[cH:15][n:16]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1Participants
8
Reactant 7
HCID 962Water
HCID 6344Dichloromethane
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 104967Cesium cation2×
HCID 594737692-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
HCID 66742401Tert-butyl 6-(6-(6-chloro-2-methyl-3-oxo-2,3-dihydropyridazin-4-ylamino)pyridin-3-yl)-2,6-diazaspiro[3.3]heptane-2-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-24a44573a2bc498b9b80f51d9be8c126
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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