N,N-Dimethylurea → HCID 71584845, compound
Reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][N:43]([C:44](=[O:45])[NH2:46])[CH3:47].[Cs+:40].[Cs+:41].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55].[s:1]1[c:2]2[c:3]([c:4]([NH:6][C:7](=[O:8])[NH:9][c:10]3[c:11]([F:31])[cH:12][c:13]([CH3:30])[c:14](-[c:16]4[c:17](=[O:29])[n:18]([CH2:27][CH3:28])[c:19]5[cH:20][c:21]([Cl:26])[n:22][cH:23][c:24]5[cH:25]4)[cH:15]3)[cH:5]1)[cH:32][cH:33][cH:34][cH:35]2>>[s:1]1[c:2]2[c:3]([c:4]([NH:6][C:7](=[O:8])[NH:9][c:10]3[c:11]([F:31])[cH:12][c:13]([CH3:30])[c:14](-[c:16]4[c:17](=[O:29])[n:18]([CH2:27][CH3:28])[c:19]5[cH:20][c:21]([NH:46][C:44]([N:43]([CH3:42])[CH3:47])=[O:45])[n:22][cH:23][c:24]5[cH:25]4)[cH:15]3)[cH:5]1)[cH:32][cH:33][cH:34][cH:35]2Participants
8
Sources & evidence
- ORD record
- ord-f2f0b40a656f4e26838254f1feb8f864
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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