Chloride → HCID 72535808, compound
Reaction equation
[B-:66]([F:67])([F:68])([F:69])[F:70].[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[NH:6][C:7](=[O:40])[O:8][CH:9]2[CH:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]3[c:17]([n:18][c:19]4[cH:20][c:21]([O:26][CH3:27])[cH:22][cH:23][c:24]4[n:25]3)[O:28][CH:29]3[CH2:30][CH:31]([C:36](=[O:37])[OH:38])[N:32]([C:33]1=[O:34])[CH2:35]3)[CH2:39]2.[CH3:100][CH2:101][O:102][C:103]([CH3:104])=[O:105].[CH3:91][N:92]([c:93]1[cH:94][cH:95][n:96][cH:97][cH:98]1)[CH3:99].[CH:42]1([S:45](=[O:46])(=[O:47])[NH:48][C:49](=[O:50])[C:51]2([NH3+:56])[CH:52]([CH:54]=[CH2:55])[CH2:53]2)[CH2:43][CH2:44]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl-:41].[Cl:88][CH2:89][Cl:90].[n:71]1([O:72][C:73]([N:74]([CH3:75])[CH3:76])=[N+:77]([CH3:78])[CH3:79])[c:80]2[cH:81][cH:82][cH:83][cH:84][c:85]2[n:86][n:87]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[NH:6][C:7](=[O:40])[O:8][CH:9]2[CH:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]3[c:17]([n:18][c:19]4[cH:20][c:21]([O:26][CH3:27])[cH:22][cH:23][c:24]4[n:25]3)[O:28][CH:29]3[CH2:30][CH:31]([C:36](=[O:37])[NH:56][C:51]4([C:49]([NH:48][S:45]([CH:42]5[CH2:43][CH2:44]5)(=[O:46])=[O:47])=[O:50])[CH:52]([CH:54]=[CH2:55])[CH2:53]4)[N:32]([C:33]1=[O:34])[CH2:35]3)[CH2:39]2Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-ff356555ca9c4bf4af92fcc90dc8548b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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