Water → HCID 178474085, compound
Reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]([NH:41][C:42]([CH3:43])=[O:44])[cH:39][cH:40]2)[O:45]1.[Cs+:50].[Cs+:51].[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Br:26])[cH:7][c:8]2[c:9]([CH:13]3[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[n:10][nH:11][c:12]12.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:52].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[P:103]([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)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6](-[c:35]2[cH:36][cH:37][c:38]([NH:41][C:42]([CH3:43])=[O:44])[cH:39][cH:40]2)[cH:7][c:8]2[c:9]([CH:13]3[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[n:10][nH:11][c:12]12Participants
8
Sources & evidence
- ORD record
- ord-5da3a240b6e04e3a882f1341a5db5b2e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…