Water → HCID 58447049, compound
Reaction equation
[Br:1][c:2]1[c:3]2[n:4]([c:5]([N:8]3[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]3)[n:6][cH:7]1)[n:21][cH:22][n:23]2.[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[Cs+:36].[Cs+:37].[OH2:121].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([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)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1.[s:24]1[c:25]([B:29]([OH:30])[OH:31])[cH:26][cH:27][cH:28]1>>[c:2]1(-[c:25]2[s:24][cH:28][cH:27][cH:26]2)[c:3]2[n:4]([c:5]([N:8]3[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]3)[n:6][cH:7]1)[n:21][cH:22][n:23]2Participants
8
Sources & evidence
- ORD record
- ord-14cd4451be6d45179cc97b7720ddc548
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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