Ethanol → HCID 22032934, compound

HRID 2341300Notes

Reaction equation

HRID 2341300 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8]([CH3:11])[c:9]2[cH:10]1.[CH3:32][CH2:33][OH:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1)([F:23])[F:24].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:31].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[cH:19][cH:18]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8]([CH3:11])[c:9]2[cH:10]1

Participants

9

Sources & evidence

ORD record
ord-af256b2cbec348a5acb5244ea0238617
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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