Water → HCID 69064866, compound
Reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:24][O:25][C:26]([C:27]([CH3:28])([CH3:29])[c:30]1[c:31]([F:45])[cH:32][cH:33][c:34]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:35]1)=[O:46].[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Cl:1][c:2]1[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[Cs+:51].[Cs+:52].[OH2:53].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([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)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([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)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([F:45])[c:30]([C:27]([C:26]([O:25][CH3:24])=[O:46])([CH3:28])[CH3:29])[cH:35]2)[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1Participants
8
Sources & evidence
- ORD record
- ord-22f083a65af143e7b8d21e88d0aabd88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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