Hydrochloric Acid → HCID 178450061, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([O:26][CH2:27][CH:28]([CH3:29])[CH3:30])[c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]2)[cH:15][cH:16]1)[CH2:31][CH:32]([c:33]1[cH:34][n:35][cH:36][cH:37][cH:38]1)[OH:39].[C:40]([n:41]1[cH:42][cH:43][n:44][cH:45]1)([n:46]1[cH:47][cH:48][n:49][cH:50]1)=[O:51].[CH3:52][S:53](=[O:54])(=[O:55])[NH2:56].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[ClH:68].[N:57]1=[C:67]2[N:61]([CH2:60][CH2:59][CH2:58]1)[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]2.[OH2:74]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([O:26][CH2:27][CH:28]([CH3:29])[CH3:30])[c:20]([C:23](=[O:24])[NH:56][S:53]([CH3:52])(=[O:54])=[O:55])[cH:21][cH:22]2)[cH:15][cH:16]1)[CH2:31][CH:32]([c:33]1[cH:34][n:35][cH:36][cH:37][cH:38]1)[OH:39]Participants
8
Sources & evidence
- ORD record
- ord-dcdc435487194c2a8c6571a8ecbddb87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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