Hydrochloric Acid → Methyl 1-[2-{3-[4-(1,1'-biphenyl-4-ylmethoxy)phenyl]propoxy}-5-(ethoxycarbonyl)-benzoyl]-4-piperidinecarboxylate

HRID 671754Notes

Reaction equation

HRID 671754 reaction equation
[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[Cl:68][CH2:69][Cl:70].[ClH:57].[NH:58]1[CH2:59][CH2:60][CH:61]([C:64](=[O:65])[O:66][CH3:67])[CH2:62][CH2:63]1.[OH2:1].[OH2:71].[OH:2][n:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10][n:11]1.[c:19]1(-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:20][cH:21][c:22]([CH2:25][O:26][c:27]2[cH:28][cH:29][c:30]([CH2:33][CH2:34][CH2:35][O:36][c:37]3[c:38]([C:39](=[O:40])[OH:41])[cH:42][c:43]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:44][cH:45]3)[cH:31][cH:32]2)[cH:23][cH:24]1>>[c:19]1(-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:20][cH:21][c:22]([CH2:25][O:26][c:27]2[cH:28][cH:29][c:30]([CH2:33][CH2:34][CH2:35][O:36][c:37]3[c:38]([C:39](=[O:41])[N:58]4[CH2:59][CH2:60][CH:61]([C:64](=[O:65])[O:66][CH3:67])[CH2:62][CH2:63]4)[cH:42][c:43]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:44][cH:45]3)[cH:31][cH:32]2)[cH:23][cH:24]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 424914Methyl isonipecotateHCID 57589042HCID 57589042, compound

Product 1

HCID 57589096Methyl 1-[2-{3-[4-(1,1'-biphenyl-4-ylmethoxy)phenyl]propoxy}-5-(ethoxycarbonyl)-benzoyl]-4-piperidinecarboxylate

Sources & evidence

ORD record
ord-579c2ca91a03495bb6d4a2808a836036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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