Hydrochloric Acid → HCID 67427368, compound
Reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([c:38]1[cH:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1)=[O:45].[CH3:46][C:47]([CH3:48])([O-:49])[CH3:50].[CH:52]([c:53]1[cH:54][c:55]([CH:56]([CH3:57])[CH3:58])[cH:59][c:60]([CH:61]([CH3:62])[CH3:63])[c:64]1-[c:65]1[cH:66][cH:67][cH:68][cH:69][c:70]1[P:71]([CH:72]1[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1)[CH:78]1[CH2:79][CH2:80][CH2:81][CH2:82][CH2:83]1)([CH3:84])[CH3:85].[ClH:1].[NH:2]1[CH2:3][CH:4]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[c:17]3[n:18][c:19](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[o:20][c:21]3[C:22]([F:23])([F:24])[F:25])[cH:12][cH:13]2)[CH2:5][CH2:6]1.[Na+:51].[O:86]1[CH2:87][CH2:88][O:89][CH2:90][CH2:91]1>>[N:2]1([c:41]2[cH:40][cH:39][c:38]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:45])[cH:43][cH:42]2)[CH2:3][CH:4]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[c:17]3[n:18][c:19](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[o:20][c:21]3[C:22]([F:23])([F:24])[F:25])[cH:12][cH:13]2)[CH2:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-5dd70aa83dd34fe5ac3d92e31d086d52
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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