Ethanol → HCID 46833788, compound
Reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:132][CH2:133][OH:134].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Na+:45].[Na+:46].[OH2:54].[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[CH:10]2[CH2:11][CH2:12][CH:13]([NH:16][c:17]3[n:18][cH:19][cH:20][c:21](-[n:23]4[n:24][n:25][c:26]5[c:27]4[cH:28][cH:29][cH:30][c:31]5[I:32])[n:22]3)[CH2:14][CH2:15]2)[CH2:6][CH2:7]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1.[s:33]1[cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1>>[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[CH:10]2[CH2:11][CH2:12][CH:13]([NH:16][c:17]3[n:18][cH:19][cH:20][c:21](-[n:23]4[n:24][n:25][c:26]5[c:27]4[cH:28][cH:29][cH:30][c:31]5-[c:35]4[cH:34][s:33][cH:37][cH:36]4)[n:22]3)[CH2:14][CH2:15]2)[CH2:6][CH2:7]1Participants
9
Sources & evidence
- ORD record
- ord-f58b817961484002bcd536a756238023
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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