Dichloromethane → methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]-3-phenylpiperidine-1-carbonyl]benzoate

HRID 2153949Notes

Reaction equation

HRID 2153949 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH:10]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:11][NH:12][CH2:13][CH2:14]1)[CH:21]([CH3:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)=[O:33].[C:34]([c:35]1[cH:36][c:37]([C:38](=[O:39])[O-:40])[cH:41][cH:42][cH:43]1)(=[O:44])[O:45][CH3:46].[Cl:57][CH2:58][Cl:59].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH:9]1[CH:10]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:11][N:12]([C:38]([c:37]2[cH:36][c:35]([C:34](=[O:44])[O:45][CH3:46])[cH:43][cH:42][cH:41]2)=[O:39])[CH2:13][CH2:14]1)[CH:21]([CH3:22])[c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12)=[O:33]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 69512791,3-Benzenedicarboxylic acid, monomethyl esterHCID 72536010tert-butyl N-(1-naphthalen-1-ylethyl)-N-[(3-phenylpiperidin-4-yl)methyl]carbamate

Product 1

HCID 178497868methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]-3-phenylpiperidine-1-carbonyl]benzoate

Sources & evidence

ORD record
ord-d94496c61c714da69568fff2d32f1158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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