Sodium ion → HCID 22248286, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH2:8][C:9](=[O:10])[CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][c:18]3[n:19][cH:20][cH:21][n:22][c:23]3[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:15][CH2:16]2)[cH:4][cH:5][cH:6][cH:7]1.[C-:42]#[N:43].[C-:45]#[N:46].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Na+:30].[OH-:29].[Pd:47].[Zn+2:44].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[c:2]1([C:37]#[N:38])[c:3]([CH2:8][C:9](=[O:10])[CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][c:18]3[n:19][cH:20][cH:21][n:22][c:23]3[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:15][CH2:16]2)[cH:4][cH:5][cH:6][cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-4c3552b40db34fa999ceeabf9d0be686
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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