Acetone → HCID 69331478, compound
Reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:47][C:48](=[O:49])[CH3:50].[NH2:7][c:8]1[n:9][c:10](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:11](-[c:15]2[cH:16][cH:17][c:18](=[O:24])[n:19]([CH:21]([CH3:22])[CH3:23])[n:20]2)[n:12][c:13]1[Br:14].[Na+:5].[Na+:6].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:40].[OH:31][B:32]([OH:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[NH2:7][c:8]1[n:9][c:10](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:11](-[c:15]2[cH:16][cH:17][c:18](=[O:24])[n:19]([CH:21]([CH3:22])[CH3:23])[n:20]2)[n:12][c:13]1-[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1Participants
9
Sources & evidence
- ORD record
- ord-2661b747475544e8862523c4126fdd5f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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