Water → HCID 66657291, compound
Reaction equation
[C-:41]#[N:42].[C-:44]#[N:45].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]([c:14]2[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]2)[c:22]2[n:23][c:24]([Br:28])[cH:25][cH:26][cH:27]2)[CH2:11][CH2:12]1.[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[OH2:35].[Zn+2:43].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]([c:14]2[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]2)[c:22]2[n:23][c:24]([C:36]#[N:37])[cH:25][cH:26][cH:27]2)[CH2:11][CH2:12]1Participants
8
Sources & evidence
- ORD record
- ord-f237aa95f33746c2a32bf83542c24f5e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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