Ammonia → HCID 25216631, compound
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:8][C:9]([c:10]2[c:11]([CH3:33])[cH:12][c:13]([C:16]3=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]4[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]4)[CH2:20]3)[cH:14][cH:15]2)=[O:34])[n:6][cH:7]1.[C-:44]#[N:45].[C-:47]#[N:48].[CH3:38][N:39]([CH3:40])[C:41](=[O:42])[CH3:43].[NH3:36].[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[OH2:35].[OH2:37].[Pd:50].[Pd:51].[Zn+2:46].[Zn:49]>>[c:2]1([C:38]#[N:39])[cH:3][n:4][c:5]([NH:8][C:9]([c:10]2[c:11]([CH3:33])[cH:12][c:13]([C:16]3=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]4[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]4)[CH2:20]3)[cH:14][cH:15]2)=[O:34])[n:6][cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-acc9ecb2611e42d89c8c72160ca96042
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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