2-Methoxyethanol → HCID 10095012, compound

HRID 662865Notes

Reaction equation

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

Participants

Reactant 4

HCID 80192-Methoxyethanol

HCID 81531Diisopropylethylamine

HCID 137636Cyclohexane, (bromomethyl)-

HCID 10066359HCID 10066359, compound

Product 1

HCID 10095012HCID 10095012, compound

Sources & evidence

ORD record: ord-20dd64c2dec548b69464cc2bf311fcd2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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