Hydrochloric Acid → HCID 17963851, compound
Reaction equation
[Br:23][c:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1.[CH3:1][C:2]1([CH3:21])[N:3]=[C:4]([c:7]2[cH:8][c:9]([O:17][B:18]([OH:19])[OH:20])[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]2)[O:5][CH2:6]1.[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[ClH:22].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[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>>[CH3:1][C:2]1([CH3:21])[N:3]=[C:4]([c:7]2[cH:8][c:9](-[c:24]3[cH:25][cH:26][n:27][cH:28][cH:29]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]2)[O:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-f980599398964c249444919cea7383a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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