Hydrogen Bromide → Hydrogen Bromide

HRID 696273Notes

Reaction equation

HRID 696273 reaction equation
[BrH:27].[CH3:1][C:2]1([CH3:26])[O:3][c:4]2[c:5]([c:6]([OH:19])[cH:7][c:8]([CH:10]([CH3:11])[CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH3:18])[cH:9]2)-[c:20]2[c:21]1[cH:22][cH:23][n:24][cH:25]2.[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[S:28]1[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[OH:39])[CH2:32][CH2:33]1>>[BrH:27].[CH3:1][C:2]1([CH3:26])[O:3][c:4]2[c:5]([c:6]([O:19][C:37]([CH2:36][CH2:35][CH2:34][N:31]3[CH2:30][CH2:29][S:28][CH2:33][CH2:32]3)=[O:38])[cH:7][c:8]([CH:10]([CH3:11])[CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH3:18])[cH:9]2)-[c:20]2[c:21]1[cH:22][cH:23][n:24][cH:25]2

Participants

6

Reactant 4

HCID 260Hydrogen BromideHCID 10868DicyclohexylcarbodiimideHCID 197814025,5-Dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-5H-[1]benzopyrano[3,4-d]pyridineHCID 205683594-Thiomorpholin-4-ylbutanoic acid

Product 2

HCID 260Hydrogen BromideHCID 20287871[5,5-Dimethyl-8-(3-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-yl] 4-thiomorpholin-4-ylbutanoate

Sources & evidence

ORD record
ord-94c26a822b53440588ce070fe9c4f428
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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