Hydrochloric Acid → HCID 10163133, compound

HRID 1539024Notes

Reaction equation

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([C:27]([C:28](=[O:29])[NH2:30])=[O:31])[c:9]([CH3:26])[n:10]([CH2:18][c:19]3[c:20]([Br:25])[cH:21][cH:22][cH:23][cH:24]3)[c:11]2[c:12]2[c:13]([cH:14]1)[CH2:15][CH2:16][CH2:17]2)=[O:32].[CH3:36][OH:37].[ClH:35].[Li+:33].[OH-:34].[OH2:38]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([C:27]([C:28](=[O:29])[NH2:30])=[O:31])[c:9]([CH3:26])[n:10]([CH2:18][c:19]3[c:20]([Br:25])[cH:21][cH:22][cH:23][cH:24]3)[c:11]2[c:12]2[c:13]([cH:14]1)[CH2:15][CH2:16][CH2:17]2)[OH:32]

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 961Hydroxide

HCID 962Water

HCID 28486Lithium ion

HCID 101177372-[[3-(2-Amino-1,2-dioxoethyl)-2-methyl-1-(2-bromobenzyl)-1,6,7,8-tetrahydrocyclopent[g]indol-4-yl]oxy]acetic acid methyl ester

Product 1

HCID 10163133HCID 10163133, compound

Sources & evidence

ORD record: ord-dee60a466df3476f8f6df5356a5ca29f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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