Hydrochloric Acid → HCID 68819043, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[CH:15]([C:38]([NH:39][CH:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[C:45]([NH:46][CH:47]([C:48]([NH:49][CH3:50])=[O:51])[CH:52]3[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]3)=[O:58])=[O:59])[CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:68][OH:69].[ClH:62].[Li+:61].[OH-:60].[OH2:70]>>[O:3]=[C:4]([OH:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[CH:15]([C:38]([NH:39][CH:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[C:45]([NH:46][CH:47]([C:48]([NH:49][CH3:50])=[O:51])[CH:52]3[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]3)=[O:58])=[O:59])[CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1Participants
8
Sources & evidence
- ORD record
- ord-38b5a339cd244072b1b91097f2927b67
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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