Ethanol → HCID 9869084, compound
Reaction equation
[C:22](=[O:23])([O-:24])[OH:25].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][OH:50].[F:27][C:28]([c:29]1[c:30]([B:35]([OH:36])[OH:37])[cH:31][cH:32][cH:33][cH:34]1)([F:38])[F:39].[NH2:1][c:2]1[c:3]([I:21])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[Na+:26].[OH2:40].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[NH2:1][c:2]1[c:3](-[c:30]2[c:29]([C:28]([F:27])([F:38])[F:39])[cH:34][cH:33][cH:32][cH:31]2)[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-87043107ae21411b891930bf584e5779
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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