Bicarbonate Ion → Cyclohexanecarboxylic acid [4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-[3-(tetrahydro-pyran-2-yloxy)-benzyl]-amide

HRID 94230Notes

Reaction equation

HRID 94230 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH2:51]([Cl:52])[Cl:53].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH:37]1([C:43](=[O:44])[Cl:45])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][CH2:16][c:17]3[cH:18][c:19]([O:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:50]>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([N:15]([CH2:16][c:17]3[cH:18][c:19]([O:23][CH:24]4[O:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[C:43]([CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)=[O:44])[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 75938Cyclohexanecarbonyl chlorideHCID 22137433[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-[3-(tetrahydro-pyran-2-yloxy)-benzyl]-amine

Product 1

HCID 86592786Cyclohexanecarboxylic acid [4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-[3-(tetrahydro-pyran-2-yloxy)-benzyl]-amide

Sources & evidence

ORD record
ord-2bd1f8f7fc6444119d0bcf1ef272f9dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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