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].[Zn+2:44].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]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
9
Sources & evidence
- ORD record
- ord-323577d4b5654edd8e182cd3b5565b82
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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