Hydrochloric Acid → HCID 178449837, compound
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[O:15][CH2:16][CH2:17][CH:18]([NH:19][C:20](=[O:21])[CH:22]1[S:23][CH2:24][CH2:25][N:26]1[S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33](-[c:36]2[c:37]([F:42])[cH:38][cH:39][cH:40][cH:41]2)[cH:34][cH:35]1)[c:43]1[c:44]([F:50])[cH:45][cH:46][cH:47][c:48]1[F:49])([CH3:5])([CH3:6])[CH3:7].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:51][S:52](=[O:53])(=[O:54])[OH:55].[Cl:56][CH2:57][Cl:58].[ClH:59].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1>>[NH2:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[O:15][CH2:16][CH2:17][CH:18]([NH:19][C:20](=[O:21])[CH:22]1[S:23][CH2:24][CH2:25][N:26]1[S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33](-[c:36]2[c:37]([F:42])[cH:38][cH:39][cH:40][cH:41]2)[cH:34][cH:35]1)[c:43]1[c:44]([F:50])[cH:45][cH:46][cH:47][c:48]1[F:49]Participants
7
Sources & evidence
- ORD record
- ord-5d9c160181d7413f8dd90420b415ba21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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