Carbonate Ion → 5-chloro-2-fluoro-4-[(5-methyl-6-oxo-9-propan-2-ylspiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-2-yl)amino]-N-(1-methylpyrrolidin-3-yl)benzamide
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH:51](=[CH:52][C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[O:62])[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH:69](=[CH:70][C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80])[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:87](=[CH:88][C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)=[O:98])[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]([CH3:16])[CH3:17])[CH2:11][C:8]1([C:7](=[O:18])[N:6]2[CH3:19])[CH2:9][CH2:10]1.[Cs+:42].[Cs+:43].[NH2:20][c:21]1[cH:22][c:23]([F:37])[c:24]([C:25](=[O:26])[NH:27][CH:28]2[CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]2)[cH:34][c:35]1[Cl:36].[Pd+2:50]>>[c:2]1([NH:20][c:21]2[cH:22][c:23]([F:37])[c:24]([C:25](=[O:26])[NH:27][CH:28]3[CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]3)[cH:34][c:35]2[Cl:36])[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]([CH3:16])[CH3:17])[CH2:11][C:8]1([C:7](=[O:18])[N:6]2[CH3:19])[CH2:9][CH2:10]1Participants
8
Reactant 7
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 688461514-amino-5-chloro-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
HCID 866175592'-chloro-9'-isopropyl-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepin]-6'(5'H)-oneProduct 1
Sources & evidence
- ORD record
- ord-883df8b07ac84ba7a88b3cbebcaf8aa9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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