Hydrochloric Acid → HCID 70110340, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]([CH2:9][C:10](=[O:11])[O:12][CH3:13])=[C:14]([C:15]([N:16]([CH2:17][CH:18]=[CH:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH:26]([CH:27]([CH2:28][c:29]1[o:30][c:31]([C:34]([NH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])[cH:32][cH:33]1)[c:43]1[cH:44][c:45]2[c:46]([cH:47][cH:48]1)[O:49][CH2:50][O:51]2)[CH3:52])=[O:53])[OH:54].[ClH:57].[Na+:56].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH-:55].[OH2:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]([CH2:9][C:10](=[O:11])[OH:12])=[C:14]([C:15]([N:16]([CH2:17][CH:18]=[CH:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH:26]([CH:27]([CH2:28][c:29]1[o:30][c:31]([C:34]([NH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])[cH:32][cH:33]1)[c:43]1[cH:44][c:45]2[c:46]([cH:47][cH:48]1)[O:49][CH2:50][O:51]2)[CH3:52])=[O:53])[OH:54]Participants
7
Sources & evidence
- ORD record
- ord-41711e5fe79741f88cad32f85d1c2cca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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