Hydrochloric Acid → HCID 67095667, compound
Reaction equation
[C:1]([NH2:2])(=[O:3])[CH2:4][CH2:5][CH2:6][NH:7][C:8](=[O:9])[N:10]1[CH:11]([c:30]2[c:31]([F:37])[c:32]([Cl:36])[cH:33][cH:34][cH:35]2)[C:12]([C:20]#[N:21])([c:22]2[c:23]([F:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:13]([CH2:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:14]1.[CH3:72][NH2:73].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[CH:74]([N:75]([CH3:76])[CH3:77])=[O:78].[ClH:71].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[C:1]([NH:2][CH3:38])(=[O:3])[CH2:4][CH2:5][CH2:6][NH:7][C:8](=[O:9])[N:10]1[CH:11]([c:30]2[c:31]([F:37])[c:32]([Cl:36])[cH:33][cH:34][cH:35]2)[C:12]([C:20]#[N:21])([c:22]2[c:23]([F:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:13]([CH2:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:14]1Participants
8
Sources & evidence
- ORD record
- ord-a9f90e4641814772aa8e3314c81ec6fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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