Hydrochloric Acid → HCID 69089370, compound
Reaction equation
[Br:1][c:2]1[c:3]2[n:4]([cH:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([CH2:17][CH:18]([CH2:19][N:20]3[C:21](=[O:30])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[C:28]3=[O:29])[NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:15][cH:16]1)[n:10]2.[CH2:74]1[O:75][CH2:76][CH2:77][O:78][CH2:79]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]([C:53]([O:54][c:55]2[c:56]([F:57])[c:58]([F:59])[c:60]([F:61])[c:62]([F:63])[c:64]2[F:65])=[O:66])[cH:67][cH:68][c:69]1[O:70][CH:71]([CH3:72])[CH3:73].[ClH:39]>>[Br:1][c:2]1[c:3]2[n:4]([cH:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([CH2:17][CH:18]([CH2:19][N:20]3[C:21](=[O:30])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[C:28]3=[O:29])[NH:31][C:32](=[O:38])[c:52]3[cH:51][c:50]([Cl:49])[c:69]([O:70][CH:71]([CH3:72])[CH3:73])[cH:68][cH:67]3)[cH:15][cH:16]1)[n:10]2Participants
7
Sources & evidence
- ORD record
- ord-8021e2006d7545a390116424c072411e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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