Ethanol → HCID 86626818, compound

HRID 1235333Notes

Reaction equation

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

Participants

Reactant 5

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 8857Ethyl Acetate

HCID 86626817Ethyl 6-[(2-{[(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-ethyl-carbamoyl]-hexanoate

Product 1

HCID 86626818HCID 86626818, compound

Sources & evidence

ORD record: ord-a341af05497c4623bab3d32694e1b5e0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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