Carbonate Ion → 4-[(2-cyclohexyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2,5-difluoro-N-(1-methyl-4-piperidyl)benzamide

HRID 678223Notes

Reaction equation

HRID 678223 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH:47](=[CH:48][C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)=[O:58])[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH:65](=[CH:66][C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)=[O:76])[c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH:83](=[CH:84][C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)=[O:94])[c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:9][CH2:8][C:7](=[O:19])[N:6]2[CH3:20].[Cs+:44].[Cs+:45].[NH2:21][c:22]1[cH:23][c:24]([F:39])[c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:36][c:37]1[F:38].[O:101]1[CH2:102][CH2:103][O:104][CH2:105][CH2:106]1.[Pd+2:46]>>[c:2]1([NH:21][c:22]2[cH:23][c:24]([F:39])[c:25]([C:26](=[O:27])[NH:28][CH:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:36][c:37]2[F:38])[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:9][CH2:8][C:7](=[O:19])[N:6]2[CH3:20]

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 671592594-amino-2,5-difluoro-N-(1-methyl-4-piperidyl)benzamideHCID 714750712-Chloro-9-cyclohexyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 686845714-[(2-cyclohexyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-2,5-difluoro-N-(1-methyl-4-piperidyl)benzamide

Sources & evidence

ORD record
ord-f25b935373944105963d40eaefb5bbcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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