Citric Acid → HCID 16719112, compound

HRID 99025Notes

Reaction equation

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

Participants

Reactant 8

HCID 8028Tetrahydrofuran

HCID 8857Ethyl Acetate

HCID 28486Lithium ion

HCID 597547723-[1-(4-Chloro-benzyl)-5-(pyridin-2-ylmethoxy)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2,2-dimethyl-propionic acid ethyl ester

Product 1

HCID 16719112HCID 16719112, compound

Sources & evidence

ORD record: ord-78518d53d001414897759a7889e9d226
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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