Hydrochloric Acid → HCID 178499741, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:17]([cH:18][c:19]2[CH2:20][CH:21]1[C:22](=[O:23])[OH:24])[N:16]([CH3:25])[C:15](=[O:26])[CH:14]([c:27]1[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]2[cH:36][c:37]([Cl:42])[c:38]([Cl:41])[cH:39][cH:40]2)[cH:31][cH:32]1)[O:13]3.[CH3:44][O:45][C:46]([CH:47]([CH2:48][c:49]1[cH:50][cH:51][c:52](-[c:55]2[cH:56][cH:57][c:58]([C:61]#[N:62])[cH:59][cH:60]2)[cH:53][cH:54]1)[NH2:63])=[O:64].[ClH:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:17]([cH:18][c:19]2[CH2:20][CH:21]1[C:22](=[O:23])[NH:63][CH:47]([C:46]([O:45][CH3:44])=[O:64])[CH2:48][c:49]1[cH:50][cH:51][c:52](-[c:55]2[cH:56][cH:57][c:58]([C:61]#[N:62])[cH:59][cH:60]2)[cH:53][cH:54]1)[N:16]([CH3:25])[C:15](=[O:26])[CH:14]([c:27]1[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]2[cH:36][c:37]([Cl:42])[c:38]([Cl:41])[cH:39][cH:40]2)[cH:31][cH:32]1)[O:13]3Participants
4
Sources & evidence
- ORD record
- ord-089f42d76a15483aa58281e70cdb5e1a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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