Chloride → HCID 178477314, compound
Reaction equation
[CH3:49][N:50]([CH3:51])[CH2:52][C:53]([OH:54])=[O:55].[CH3:65][N:66]1[CH2:67][CH2:68][N:69]([CH3:70])[C:71]1=[O:72].[CH3:76][N:77]([c:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1)[CH3:84].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[Cl-:56].[Cl:57][CH:58]1[N:59]([CH3:60])[CH2:61][CH2:62][NH+:63]1[CH3:64].[Cl:73][CH2:74][Cl:75].[OH:1][CH2:2][c:3]1[c:4]([C:5](=[O:6])[O:7][C:8]([CH:9]([CH3:10])[S:11][CH:12]2[CH2:13][O:14][CH:15]([CH:18]=[CH:19][CH:20]=[CH:21][c:22]3[c:23]([F:30])[cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]3)[O:16][CH2:17]2)([CH2:31][n:32]2[n:33][cH:34][n:35][cH:36]2)[c:37]2[c:38]([F:44])[cH:39][c:40]([F:43])[cH:41][cH:42]2)[cH:45][cH:46][cH:47][cH:48]1>>[O:1]([CH2:2][c:3]1[c:4]([C:5](=[O:6])[O:7][C:8]([CH:9]([CH3:10])[S:11][CH:12]2[CH2:13][O:14][CH:15]([CH:18]=[CH:19][CH:20]=[CH:21][c:22]3[c:23]([F:30])[cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]3)[O:16][CH2:17]2)([CH2:31][n:32]2[n:33][cH:34][n:35][cH:36]2)[c:37]2[c:38]([F:44])[cH:39][c:40]([F:43])[cH:41][cH:42]2)[cH:45][cH:46][cH:47][cH:48]1)[C:53]([CH2:52][N:50]([CH3:49])[CH3:51])=[O:54]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-202d3e4f0388438cad55a285dc296bd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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