Dichloromethane → benzyl N-[3-cyclohexyl-1-oxo-1-[1-[4-(trifluoromethoxy)anilino]propan-2-ylamino]propan-2-yl]carbamate

HRID 696916Notes

Reaction equation

HRID 696916 reaction equation
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][C:25](=[O:26])[NH:27][CH:28]([C:29](=[O:30])[OH:31])[CH2:32][CH:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:72][CH2:73][Cl:74].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH:10][CH2:11][CH:12]([CH3:13])[NH2:14])[cH:8][cH:9]1)([F:15])[F:16].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH:10][CH2:11][CH:12]([CH3:13])[NH:14][C:29]([CH:28]([NH:27][C:25]([O:24][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:26])[CH2:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)=[O:30])[cH:8][cH:9]1)([F:15])[F:16]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 40489712-{[(Benzyloxy)carbonyl]amino}-3-cyclohexylpropanoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21082274N1-[4-(trifluoromethoxy)phenyl]propane-1,2-diamine

Product 1

HCID 69196370benzyl N-[3-cyclohexyl-1-oxo-1-[1-[4-(trifluoromethoxy)anilino]propan-2-ylamino]propan-2-yl]carbamate

Sources & evidence

ORD record
ord-eac90ab349bd48588700fe8ca0fffd9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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