Ethanol → HCID 59726020, compound
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:121][O:122][CH2:123][CH2:124][O:125][CH3:126].[CH3:128][CH2:129][OH:130].[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]4[cH:19][cH:20][n:21][n:22]4[CH3:23])[cH:24][cH:25][c:26]3[CH3:27])[cH:9][cH:10][c:11]12.[K+:42].[K+:43].[OH2:127].[c:28]1([CH3:37])[c:29]([B:34]([OH:35])[OH:36])[cH:30][cH:31][cH:32][cH:33]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[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)[cH:119][cH:120]1>>[c:2]1(-[c:29]2[c:28]([CH3:37])[cH:33][cH:32][cH:31][cH:30]2)[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]4[cH:19][cH:20][n:21][n:22]4[CH3:23])[cH:24][cH:25][c:26]3[CH3:27])[cH:9][cH:10][c:11]12Participants
9
Sources & evidence
- ORD record
- ord-95f597c500694eaf8ad23437973d0aff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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