Hydrochloric Acid → HCID 91058916, compound

HRID 93708Notes

Reaction equation

[CH3:59][OH:60].[Cl:1][c:2]1[c:3]([CH:47]([C:48]([O:49][CH3:50])=[O:51])[c:52]2[n:53][n:54][c:55]([Cl:58])[cH:56][cH:57]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:38][O:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:11]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH:12]([O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH:13]2[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1.[ClH:63].[Li+:61].[OH-:62].[OH2:64]>>[Cl:1][c:2]1[c:3]([CH2:47][c:52]2[n:53][n:54][c:55]([Cl:58])[cH:56][cH:57]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:38][O:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:11]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH:12]([O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH:13]2[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:6][cH:7]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 961Hydroxide

HCID 962Water

HCID 28486Lithium ion

HCID 90944119Methyl 2-(6-chloropyridazin-3-yl)-2-[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]acetate

Product 1

HCID 91058916HCID 91058916, compound

Sources & evidence

ORD record: ord-f29bcf2acabf4ba0ba0f6da848e30494
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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