2-Butyne-1,4-diol → HCID 10233725, compound

HRID 1573243Notes

Reaction equation

HRID 1573243 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17](-[c:31]3[n:32][cH:33][cH:34][cH:35][n:36]3)[n:18][c:19]([Cl:30])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH2:52]([OH:53])[C:54]#[C:55][CH2:56][OH:57].[CH3:37][O:38][c:39]1[cH:40][c:41]([CH2:42][O:43][CH2:44][C:45]#[C:46][CH2:47][OH:48])[cH:49][cH:50][cH:51]1.[CH3:58][O:59][c:60]1[cH:61][c:62]([CH2:66][Br:67])[cH:63][cH:64][cH:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17](-[c:31]3[n:32][cH:33][cH:34][cH:35][n:36]3)[n:18][c:19]([O:48][CH2:47][C:46]#[C:45][CH2:44][O:43][CH2:42][c:41]3[cH:40][c:39]([O:38][CH3:37])[cH:51][cH:50][cH:49]3)[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 80662-Butyne-1,4-diolHCID 40672073-Methoxybenzyl bromideHCID 111351604-Tert-butyl-n-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamideHCID 22729410HCID 22729410, compound

Product 1

HCID 10233725HCID 10233725, compound

Sources & evidence

ORD record
ord-dac72992002a4bfc87d78bdeff69bca3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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