Dichloromethane → HCID 178445087, compound

HRID 171352Notes

Reaction equation

HRID 171352 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH:5]=[CH2:6])[O:7][C:8](=[O:9])[NH:10][CH:11]([C:12](=[O:13])[OH:14])[C:15]([CH3:16])([CH3:17])[CH3:18].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl:52][c:53]1[cH:54][cH:55][c:56]([CH:76]=[CH2:77])[c:57](-[c:59]2[cH:60][cH:61][c:62]([C:65]3([O:74][CH3:75])[CH2:66][CH:67]([C:70](=[O:71])[O:72][CH3:73])[NH:68][CH2:69]3)[cH:63][cH:64]2)[cH:58]1.[Cl:78][CH2:79][Cl:80].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH:5]=[CH2:6])[O:7][C:8](=[O:9])[NH:10][CH:11]([C:12](=[O:14])[N:68]1[CH:67]([C:70](=[O:71])[O:72][CH3:73])[CH2:66][C:65]([c:62]2[cH:61][cH:60][c:59](-[c:57]3[c:56]([CH:76]=[CH2:77])[cH:55][cH:54][c:53]([Cl:52])[cH:58]3)[cH:64][cH:63]2)([O:74][CH3:75])[CH2:69]1)[C:15]([CH3:16])([CH3:17])[CH3:18]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68528162Methyl 4-[4-(5-chloro-2-ethenylphenyl)phenyl]-4-methoxypyrrolidine-2-carboxylateHCID 751131252-(Hex-5-enoxycarbonylamino)-3,3-dimethylbutanoic acid

Product 1

HCID 178445087HCID 178445087, compound

Sources & evidence

ORD record
ord-048befa6fea14157b7c60bd945327b05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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