Hydrochloric Acid → HCID 69893810, compound
Reaction equation
[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl:19][c:20]1[c:21]([NH:27][C:28]([NH:29][c:30]2[c:31]3[c:32]([n:33][cH:34][n:35]2)[cH:36][c:37]([CH:39]=[CH:40][C:41](=[O:42])[OH:43])[s:38]3)=[O:44])[c:22]([Cl:26])[cH:23][cH:24][cH:25]1.[ClH:18].[N:45]1([CH2:51][CH2:52][NH2:53])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[c:1]1([P:2]([N:3]=[N+:4]=[N-:5])([c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)=[O:12])[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[Cl:19][c:20]1[c:21]([NH:27][C:28]([NH:29][c:30]2[c:31]3[c:32]([n:33][cH:34][n:35]2)[cH:36][c:37]([CH:39]=[CH:40][C:41](=[O:43])[NH:53][CH2:52][CH2:51][N:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[s:38]3)=[O:44])[c:22]([Cl:26])[cH:23][cH:24][cH:25]1Participants
7
Sources & evidence
- ORD record
- ord-50678488f6fc4ee59ede09ccf1b0a536
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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