Ammonium → benzyl 4-[[4-[(5-amino-2-phenoxy-4-pyridinyl)methylamino]-4-(oxan-4-yl)butanoyl]-(2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate

HRID 2313398Notes

Reaction equation

HRID 2313398 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[CH2:12][CH2:13][CH:14]([N:17]([C:18]([CH2:19][CH2:20][CH:21]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[NH:28][CH2:29][c:30]2[cH:31][c:32]([O:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[n:33][cH:34][c:35]2[N+:36]([O-:37])=[O:38])=[O:46])[CH2:47][CH2:48][O:49][CH2:50][c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[CH2:15][CH2:16]1.[CH3:59][OH:60].[Cl-:57].[NH4+:58].[Zn:61]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[CH2:12][CH2:13][CH:14]([N:17]([C:18]([CH2:19][CH2:20][CH:21]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[NH:28][CH2:29][c:30]2[cH:31][c:32]([O:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[n:33][cH:34][c:35]2[NH2:36])=[O:46])[CH2:47][CH2:48][O:49][CH2:50][c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 23994ZincHCID 178525044HCID 178525044, compound

Product 1

HCID 178508037benzyl 4-[[4-[(5-amino-2-phenoxy-4-pyridinyl)methylamino]-4-(oxan-4-yl)butanoyl]-(2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate

Sources & evidence

ORD record
ord-b1c215a692c3450baa2e688c91d8b8d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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