Hydrochloric Acid → HCID 20757807, compound
Reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[C:32]([O:33][C:37](=[O:38])[CH:39]1[N:40]([S:44](=[O:45])(=[O:46])[c:47]2[cH:48][n:49][c:50]3[n:51]2[C:52]([CH2:64][c:65]2[cH:66][cH:67][c:68](-[c:71]4[cH:72][n:73][cH:74][n:75][cH:76]4)[cH:69][cH:70]2)([CH3:77])[C:53](=[O:63])[N:54]3[c:55]2[cH:56][c:57]([Cl:62])[cH:58][c:59]([Cl:61])[cH:60]2)[CH2:41][CH2:42][CH2:43]1)([CH3:34])([CH3:35])[CH3:36].[CH3:78][O:79][CH2:80][CH2:81][NH2:82].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:84][CH2:85][Cl:86].[ClH:83].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[C:37](=[O:38])([CH:39]1[N:40]([S:44](=[O:45])(=[O:46])[c:47]2[cH:48][n:49][c:50]3[n:51]2[C:52]([CH2:64][c:65]2[cH:66][cH:67][c:68](-[c:71]4[cH:72][n:73][cH:74][n:75][cH:76]4)[cH:69][cH:70]2)([CH3:77])[C:53](=[O:63])[N:54]3[c:55]2[cH:56][c:57]([Cl:62])[cH:58][c:59]([Cl:61])[cH:60]2)[CH2:41][CH2:42][CH2:43]1)[NH:82][CH2:81][CH2:80][O:79][CH3:78]Participants
8
Sources & evidence
- ORD record
- ord-14f85512cce8443bbacfb677a05c25b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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