Ammonium → HCID 178491265, compound
Reaction equation
[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl-:65].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])[NH:13][CH:14]([C:24](=[O:25])[NH:26][c:27]2[c:28]([O:37][CH3:38])[cH:29][c:30]([CH2:33][C:34](=[O:35])[OH:36])[cH:31][cH:32]2)[CH:15]1[c:16]1[c:17]([F:23])[c:18]([Cl:22])[cH:19][cH:20][cH:21]1.[NH4+:66].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH:55][n:56]1[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[n:63][n:64]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])[NH:13][CH:14]([C:24](=[O:25])[NH:26][c:27]2[c:28]([O:37][CH3:38])[cH:29][c:30]([CH2:33][C:34](=[O:35])[NH2:46])[cH:31][cH:32]2)[CH:15]1[c:16]1[c:17]([F:23])[c:18]([Cl:22])[cH:19][cH:20][cH:21]1Participants
8
Sources & evidence
- ORD record
- ord-e12268c37afd4bf2a5db26b24315cbc8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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