Hydrochloric Acid → HCID 54249234, compound
Reaction equation
[C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[NH:38][c:39]1[s:40][cH:41][c:42]([C:44]([C:45](=[O:46])[OH:47])=[N:48][O:49][CH3:50])[n:43]1.[CH2:62]([Cl:63])[Cl:64].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[ClH:51].[S:52]([C:53]#[N:54])[CH2:55][CH:56]1[CH:57]([NH2:61])[C:58](=[O:60])[NH:59]1.[S:8]([Cl:9])([c:10]1[cH:11][cH:12][c:13]([CH3:14])[cH:15][cH:16]1)(=[O:17])=[O:18]>>[C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[NH:38][c:39]1[s:40][cH:41][c:42]([C:44]([C:45](=[O:47])[NH:61][CH:57]2[CH:56]([CH2:55][S:52][C:53]#[N:54])[NH:59][C:58]2=[O:60])=[N:48][O:49][CH3:50])[n:43]1Participants
7
Sources & evidence
- ORD record
- ord-1284556046db4ad49b903f3e0c431273
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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