Water → HCID 77301712, compound
Reaction equation
[Br:19][c:20]1[c:21]([F:41])[cH:22][c:23]2[c:24](=[O:40])[c:25]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:26][n:27]([CH:31]3[CH:32]([F:34])[CH2:33]3)[c:28]2[c:29]1[CH3:30].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]12[CH2:10][NH:11][CH2:12][CH:13]1[C:14]([F:17])([F:18])[CH2:15][CH2:16]2.[C:42](=[O:43])([O-:44])[O-:45].[Cs+:46].[Cs+:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[OH2:54].[Pd:55].[Pd:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]12[CH2:10][N:11]([c:20]3[c:21]([F:41])[cH:22][c:23]4[c:24](=[O:40])[c:25]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:26][n:27]([CH:31]5[CH:32]([F:34])[CH2:33]5)[c:28]4[c:29]3[CH3:30])[CH2:12][CH:13]1[C:14]([F:17])([F:18])[CH2:15][CH2:16]2Participants
9
Sources & evidence
- ORD record
- ord-775c6c16e65f4621b2faaafd73cb33d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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