Hydrochloric Acid → HCID 178495358, compound
Reaction equation
[CH3:37][O:38][CH2:39][CH:40]([CH3:41])[NH2:42].[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[Cl:66][CH2:67][Cl:68].[ClH:54].[F:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[N:11]2[CH:12]([C:17](=[O:18])[NH:19][CH:20]([C:21](=[O:22])[OH:23])[CH2:24][c:25]3[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][CH2:34][O:35][CH3:36])[cH:29][cH:30]3)[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1.[OH2:43].[OH2:69].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[F:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[N:11]2[CH:12]([C:17](=[O:18])[NH:19][CH:20]([C:21](=[O:22])[NH:42][CH:40]([CH2:39][O:38][CH3:37])[CH3:41])[CH2:24][c:25]3[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][CH2:34][O:35][CH3:36])[cH:29][cH:30]3)[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-38baacb285d740bc9b79c624dc5aa5de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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