Sodium ion → N-cyclopropyl-6-methyl-7-[1-(3-methylmorpholin-4-yl)phthalazin-6-yl]-1,2-benzoxazol-3-amine
Reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[c:8]1[n:9][n:10][cH:11][c:12]2[cH:13][c:14]([B:18]([OH:19])[OH:20])[cH:15][cH:16][c:17]12.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH:21]1([NH:24][c:25]2[n:26][o:27][c:28]3[c:29]2[cH:30][cH:31][c:32]([CH3:35])[c:33]3[I:34])[CH2:22][CH2:23]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[c:8]1[n:9][n:10][cH:11][c:12]2[cH:13][c:14](-[c:33]3[c:28]4[o:27][n:26][c:25]([NH:24][CH:21]5[CH2:22][CH2:23]5)[c:29]4[cH:30][cH:31][c:32]3[CH3:35])[cH:15][cH:16][c:17]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-df8a3130129e4cf287c470e30baafdd5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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