Water → HCID 178473223, compound
Reaction equation
[C-:146]#[N:147].[C-:149]#[N:150].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:55][CH3:56])[CH2:8][CH:9]([NH:24][CH:25]([c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:40]2[n:41][cH:42][c:43]([N:46]3[CH2:47][CH2:48][N:49]([C:52]([CH3:53])=[O:54])[CH2:50][CH2:51]3)[cH:44][n:45]2)[c:10]2[n:11][c:12]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[cH:13][cH:14][c:15]21.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[OH2:57].[Zn+2:148].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:55][CH3:56])[CH2:8][CH:9]([NH:24][CH:25]([c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[c:40]2[n:41][cH:42][c:43]([N:46]3[CH2:47][CH2:48][N:49]([C:52]([CH3:53])=[O:54])[CH2:50][CH2:51]3)[cH:44][n:45]2)[c:10]2[n:11][c:12]([C:64]#[N:65])[cH:13][cH:14][c:15]21Participants
8
Sources & evidence
- ORD record
- ord-063e9c6e3f12408eb9c75113fe35692d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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