Hydrochloric Acid → HCID 87122826, compound
Reaction equation
[C:48]([CH3:49])(=[O:50])[NH:51][c:52]1[s:53][c:54]([S:58](=[O:59])(=[O:60])[Cl:61])[c:55]([CH3:57])[n:56]1.[CH3:2][O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][cH:15][c:16]([C:19]#[N:20])[cH:17][cH:18]2)[cH:11][cH:12]1)[NH:21][C:22](=[O:23])[CH:24]1[NH:25][CH2:26][c:27]2[cH:28][c:29]3[c:30]([cH:31][c:32]2[CH2:33]1)[O:34][CH2:35][CH:36]([c:38]1[cH:39][cH:40][c:41]([O:44][CH2:45][CH3:46])[cH:42][cH:43]1)[O:37]3)=[O:47].[ClH:1]>>[CH3:2][O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[cH:14][cH:15][c:16]([C:19]#[N:20])[cH:17][cH:18]2)[cH:11][cH:12]1)[NH:21][C:22](=[O:23])[CH:24]1[N:25]([S:58]([c:54]2[s:53][c:52]([NH:51][C:48]([CH3:49])=[O:50])[n:56][c:55]2[CH3:57])(=[O:59])=[O:60])[CH2:26][c:27]2[cH:28][c:29]3[c:30]([cH:31][c:32]2[CH2:33]1)[O:34][CH2:35][CH:36]([c:38]1[cH:39][cH:40][c:41]([O:44][CH2:45][CH3:46])[cH:42][cH:43]1)[O:37]3)=[O:47]Participants
4
Sources & evidence
- ORD record
- ord-51d9dcd2992b4daba23bf337925c2cba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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