Hydrogen Bromide → HCID 44177732, compound

HRID 2129237Notes

Reaction equation

HRID 2129237 reaction equation
[BrH:1].[C:38]([P:39](=[O:40])([O:41][CH2:42][CH3:43])[O:44][CH2:45][CH3:46])#[N:47].[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][n:10]2[c:11]([n:15][c:16](-[c:20]3[n:21][cH:22][n:23][cH:24][cH:25]3)[cH:17][c:18]2=[O:19])[CH:12]([NH2:14])[CH2:13]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:26][c:27]1[cH:28][c:29]([O:36][CH3:37])[c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]1>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][n:10]2[c:11]([n:15][c:16](-[c:20]3[n:21][cH:22][n:23][cH:24][cH:25]3)[cH:17][c:18]2=[O:19])[CH:12]([NH:14][C:31]([c:30]2[c:29]([O:36][CH3:37])[cH:28][c:27]([Cl:26])[cH:35][cH:34]2)=[O:32])[CH2:13]1

Participants

7

Reactant 6

HCID 260Hydrogen BromideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 76257Diethyl cyanophosphonateHCID 936824-Chloro-o-anisic acidHCID 669298339-amino-4-oxo-2-pyrimidin-4-yl-5,6,8,9-tetrahydro-4H-1,4-a,7-triaza-benzocycloheptene-7-carboxylic acid ethyl ester

Product 1

HCID 44177732HCID 44177732, compound

Sources & evidence

ORD record
ord-b946ea857dad428b86167d00154d9924
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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