Water → tert-butyl N-[1-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-methylsulfanyl-4-(4-phenylphenyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

HRID 152450Notes

Reaction equation

HRID 152450 reaction equation
[CH:89]([N:90]([CH2:91][CH3:92])[CH:93]([CH3:94])[CH3:95])([CH3:96])[CH3:97].[Cl:98][CH2:99][Cl:100].[NH2:38][C:39]1([C:44](=[O:45])[NH:46][S:47](=[O:48])(=[O:49])[CH:50]2[CH2:51][CH2:52]2)[CH:40]([CH:42]=[CH2:43])[CH2:41]1.[OH2:64].[P-:65]([F:66])([F:67])([F:68])([F:69])([F:70])[F:71].[c:1]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH3:31])[CH2:8][CH:9]([C:27](=[O:28])[OH:29])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1.[c:53]1([CH3:54])[cH:55][cH:56][c:57]([S:58]([O-:59])(=[O:60])=[O:61])[cH:62][cH:63]1.[n:72]1([O:73][C:74]([N:75]([CH3:76])[CH3:77])=[N+:78]([CH3:79])[CH3:80])[c:81]2[n:82][cH:83][cH:84][cH:85][c:86]2[n:87][n:88]1>>[c:1]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH3:31])[CH2:8][CH:9]([C:27](=[O:29])[NH:38][C:39]3([C:44](=[O:45])[NH:46][S:47](=[O:48])(=[O:49])[CH:50]4[CH2:51][CH2:52]4)[CH:40]([CH:42]=[CH2:43])[CH2:41]3)[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1

Participants

9

Reactant 8

HCID 962WaterHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 85570p-ToluenesulfonateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 222502241-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamideHCID 178503056HCID 178503056, compound

Product 1

HCID 178435299tert-butyl N-[1-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-methylsulfanyl-4-(4-phenylphenyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-c6ce60b00df04d42b1990dbd901153cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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