Ethanol → HCID 61029678, compound
Reaction equation
[CH2:25]([OH:26])[CH3:27].[Cl:9][c:10]1[c:11]([B:16]([OH:17])[OH:18])[cH:12][cH:13][cH:14][cH:15]1.[NH2:1][c:2]1[n:3][c:4]([Br:8])[cH:5][cH:6][cH:7]1.[Na+:19].[Na+:20].[O-:21][C:22](=[O:23])[O-:24].[Pd:35].[c:28]1([CH3:29])[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([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)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([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)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([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)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[NH2:1][c:2]1[n:3][c:4](-[c:11]2[c:10]([Cl:9])[cH:15][cH:14][cH:13][cH:12]2)[cH:5][cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-2761a89785c44db0b2414371e1869ef0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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