Ethanol → HCID 46833493, compound
Reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH3:133][CH2:134][OH:135].[CH3:33][c:34]1[c:35]([B:39]([OH:40])[OH:41])[cH:36][s:37][cH:38]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:46].[Na+:47].[OH2:55].[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: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>>[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[c:34]([CH3:33])[cH:38][s:37][cH:36]4)[n:22]3)[CH2:14][CH2:15]2)[CH2:6][CH2:7]1Participants
9
Sources & evidence
- ORD record
- ord-f6dc5dd9a0b04199b4001a7dcc72f38b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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