Methanol → HCID 66939208, compound
Reaction equation
[C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[NH:31].[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:8][CH2:9][c:10]2[c:11]([F:17])[c:12]([Br:16])[cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1.[CH3:78][C:79]([CH3:80])([O-:81])[CH3:82].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[CH3:91][OH:92].[Na+:83].[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:131]=[C:132]([CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1)[CH:141]=[CH:142][c:143]1[cH:144][cH:145][cH:146][cH:147][cH:148]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:93].[Pd:94].[cH:32]1[cH:33][cH:34][c:35]([P:36]([c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77]1>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:8][CH2:9][c:10]2[c:11]([F:17])[c:12]([NH2:31])[cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1Participants
10
Sources & evidence
- ORD record
- ord-ff432711559a439abff6c3e36980b260
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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