Methanol → HCID 178493689, compound

HRID 1223543Notes

Reaction equation

[CH3:49][OH:50].[Li+:48].[N:1]12[CH:2]([CH2:9][NH:10][c:11]3[n:12][cH:13][c:14](-[c:17]4[n:18][c:19]([N:27]5[CH2:28][CH:29]([O:44][CH3:45])[CH:30]([NH:33][C:34](=[O:35])[c:36]6[nH:37][c:38]([CH3:43])[c:39]([Cl:42])[c:40]6[Cl:41])[CH2:31][CH2:32]5)[s:20][c:21]4[C:22](=[O:23])[O:24][CH2:25][CH3:26])[n:15][cH:16]3)[CH2:3][N:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[OH-:47].[OH2:46].[OH2:51]>>[N:1]12[CH:2]([CH2:9][NH:10][c:11]3[n:12][cH:13][c:14](-[c:17]4[n:18][c:19]([N:27]5[CH2:28][CH:29]([O:44][CH3:45])[CH:30]([NH:33][C:34](=[O:35])[c:36]6[nH:37][c:38]([CH3:43])[c:39]([Cl:42])[c:40]6[Cl:41])[CH2:31][CH2:32]5)[s:20][c:21]4[C:22](=[O:23])[OH:24])[n:15][cH:16]3)[CH2:3][N:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

Reactant 5

HCID 887Methanol

HCID 961Hydroxide

HCID 962Water2×

HCID 28486Lithium ion

HCID 72274481ethyl 4-[5-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrazin-2-yl]-2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate

Product 1

HCID 178493689HCID 178493689, compound

Sources & evidence

ORD record: ord-63b6212f833f406294366aaf2a9ce8ce
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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