1-Butanol → HCID 59640848, compound
Reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH2:14]([OH:15])[CH2:16][CH2:17][CH3:18].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:1][c:2]1[c:3]([F:13])[c:4]([I:12])[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Cs+:23].[Cs+:24].[O:25]1[CH2:26][O:27][c:28]2[c:29]1[cH:30][cH:31][c:32]([B:34]([OH:35])[OH:36])[cH:33]2.[OH2:121].[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>>[Cl:1][c:2]1[c:3]([F:13])[c:4](-[c:32]2[cH:31][cH:30][c:29]3[c:28]([cH:33]2)[O:27][CH2:26][O:25]3)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
9
Sources & evidence
- ORD record
- ord-fc35a36f132e406fbe5f2b3927a87770
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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