Ethanol → HCID 69544987, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([N:19]([CH3:20])[CH3:21])([NH:22][S:23](=[O:24])(=[O:25])[c:26]2[s:27][c:28]([Br:31])[cH:29][cH:30]2)[c:11]2[c:12]([cH:15][cH:16][cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH3:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[CH3:48][CH2:49][OH:50].[Cl:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[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>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([N:19]([CH3:20])[CH3:21])([NH:22][S:23](=[O:24])(=[O:25])[c:26]2[s:27][c:28](-[c:36]3[cH:35][cH:34][c:33]([Cl:32])[cH:38][cH:37]3)[cH:29][cH:30]2)[c:11]2[c:12]([cH:15][cH:16][cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
8
Sources & evidence
- ORD record
- ord-9d4e2556ee684a3bb1a12b36e46ba195
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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