Phenylacetic Acid → HCID 67443648, compound

HRID 295189Notes

Reaction equation

HRID 295189 reaction equation
[CH2:44]([N:45]([CH2:46][CH3:47])[CH2:48][CH3:49])[CH3:50].[CH2:51]([CH3:52])[O:53][C:54](=[O:55])[c:56]1[cH:57][c:58]2[c:63]([cH:64][cH:65]1)[NH:62][CH:61]([c:66]1[cH:67][c:68]([NH2:72])[cH:69][cH:70][cH:71]1)[C:60]([CH3:73])([CH3:74])[CH2:59]2.[CH3:11][NH3+:12].[Cl:75][CH2:76][Cl:77].[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[C:2](=[O:3])([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:72][c:68]1[cH:67][c:66]([CH:61]2[C:60]([CH3:73])([CH3:74])[CH2:59][c:58]3[cH:57][c:56]([C:54]([O:53][CH2:51][CH3:52])=[O:55])[cH:65][cH:64][c:63]3[NH:62]2)[cH:71][cH:70][cH:69]1

Participants

8

Reactant 7

HCID 999Phenylacetic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886Hexafluorophosphate2×HCID 644041MethylammoniumHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 674427962-(3-Amino-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Product 1

HCID 67443648HCID 67443648, compound

Sources & evidence

ORD record
ord-9ded4018bf9449c9a65f04574099e05a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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