Ethanol → HCID 58447928, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][c:19]3[cH:20][n:21][c:22]([Cl:26])[c:23]([Cl:25])[cH:24]3)=[O:27])[n:14][cH:15]2)[CH2:8][CH2:9]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:133][CH2:134][OH:135].[CH3:28][c:29]1[n:30][cH:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:48].[Na+:49].[OH2:136].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([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)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][c:19]3[cH:20][n:21][c:22](-[c:33]4[cH:32][cH:31][n:30][c:29]([CH3:28])[cH:34]4)[c:23]([Cl:25])[cH:24]3)=[O:27])[n:14][cH:15]2)[CH2:8][CH2:9]1Participants
9
Sources & evidence
- ORD record
- ord-7cc5c6e5fb4f4856961cf33fd14b6292
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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