Water → HCID 66790940, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:22](=[O:23])[O-:24])[cH:5][c:6]2[c:7]1[N:8]([c:15]1[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1)[C:9](=[O:14])[C:10]([CH3:12])([CH3:13])[O:11]2.[C-:30]#[N:31].[C-:33]#[N:34].[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[OH2:112].[Zn+2:32].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[c:2]1([C:25]#[N:26])[cH:3][c:4]([N+:22](=[O:23])[O-:24])[cH:5][c:6]2[c:7]1[N:8]([c:15]1[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1)[C:9](=[O:14])[C:10]([CH3:12])([CH3:13])[O:11]2Participants
7
Sources & evidence
- ORD record
- ord-cc565acae54144cc9099594b5e682917
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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