Dichloromethane → tert-butyl N-[16-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-2-oxo-14-(4-phenylphenyl)-13-thia-1-azabicyclo[12.2.1]heptadecan-3-yl]carbamate
Reaction equation
[CH3:93][CH2:94][O:95][C:96]([CH3:97])=[O:98].[CH:81]([N:82]([CH2:83][CH3:84])[CH:85]([CH3:86])[CH3:87])([CH3:88])[CH3:89].[Cl:90][CH2:91][Cl:92].[NH2:42][C:43]1([C:48](=[O:49])[NH:50][S:51](=[O:52])(=[O:53])[CH:54]2[CH2:55][CH2:56]2)[CH:44]([CH:46]=[CH2:47])[CH2:45]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[c:1]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:2][cH:3][c:4]([C:7]23[S:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[C:19](=[O:27])[N:20]([CH:21]([C:23](=[O:24])[OH:25])[CH2:22]2)[CH2:26]3)[cH:5][cH:6]1.[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[c:1]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:2][cH:3][c:4]([C:7]23[S:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[C:19](=[O:27])[N:20]([CH:21]([C:23](=[O:24])[NH:42][C:43]4([C:48](=[O:49])[NH:50][S:51](=[O:52])(=[O:53])[CH:54]5[CH2:55][CH2:56]5)[CH:44]([CH:46]=[CH2:47])[CH2:45]4)[CH2:22]2)[CH2:26]3)[cH:5][cH:6]1Participants
8
Reactant 7
HCID 6344Dichloromethane
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 222502241-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamide
HCID 722660203-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-oxo-14-(4-phenylphenyl)-13-thia-1-azabicyclo[12.2.1]heptadecane-16-carboxylic acidProduct 1
Sources & evidence
- ORD record
- ord-5c83a9a6b1e14d6384ff3874de1a1879
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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