Ethanol → HCID 178430819, compound
Reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:21][c:22]1[cH:23][nH:24][c:25]2[n:26][cH:27][c:28]([B:31]3[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]3)[cH:29][c:30]12.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[I:1][c:2]1[n:3][n:4]([CH:18]([CH3:19])[CH3:20])[cH:5][c:6]1-[c:7]1[n:8][c:9]([NH:13][CH2:14][CH:15]([CH3:16])[OH:17])[n:10][cH:11][cH:12]1.[Na+:44].[Na+:45].[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:2]1(-[c:28]2[cH:27][n:26][c:25]3[nH:24][cH:23][c:22]([CH3:21])[c:30]3[cH:29]2)[n:3][n:4]([CH:18]([CH3:19])[CH3:20])[cH:5][c:6]1-[c:7]1[n:8][c:9]([NH:13][CH2:14][CH:15]([CH3:16])[OH:17])[n:10][cH:11][cH:12]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-35a42189e4bf496e9369a08494d37453
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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