Ethanol → 4-hydroxymethyl-2-methyl-8-[2'-(1-tert-butyl-1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]2[C:10](=[O:22])[CH2:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([CH3:21])[n:17][c:18]3[CH2:19][OH:20])[cH:6][cH:7]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[n:27]1[n:28][n:29][n:30][c:31]1-[c:32]1[c:33]([B:38]([OH:39])[OH:40])[cH:34][cH:35][cH:36][cH:37]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[CH3:47][CH2:48][OH:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Na+:45].[Na+:46].[OH2:140].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:33]2[c:32](-[c:31]3[n:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[n:28][n:29][n:30]3)[cH:37][cH:36][cH:35][cH:34]2)[cH:3][cH:4][c:5]([CH2:8][N:9]2[C:10](=[O:22])[CH2:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([CH3:21])[n:17][c:18]3[CH2:19][OH:20])[cH:6][cH:7]1Participants
10
Reactant 9
HCID 702Ethanol
HCID 923Sodium ion2×
HCID 962Water
HCID 1140Toluene
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 104737918-[(4-Bromophenyl)methyl]4-hydroxymethyl-2-methyl-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
HCID 109447112-[(1-tert-Butyl)-1H-tetrazol-5-yl]phenylboronic acid
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-628b7d51370e41068a8f5ab110aaa061
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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