Ethanol → HCID 22246783, compound
Reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][OH:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[I:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][N:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[S:34](=[O:35])(=[O:36])[CH3:37])[cH:38][cH:39]1.[Na+:5].[Na+:6].[c:7]1([B:13]([OH:14])[OH:15])[cH:8][cH:9][cH:10][cH:11][cH:12]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>>[c:7]1(-[c:17]2[cH:18][cH:19][c:20]([CH2:21][N:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[S:34](=[O:35])(=[O:36])[CH3:37])[cH:38][cH:39]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1Participants
9
Sources & evidence
- ORD record
- ord-9e9fb4941b7e416daba5f7208507664d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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