Hydrogen Bromide → 4-methyl-5,6-dihydro-4H-1,3a,6-triaza-as-indacene-8-carboxylic acid phenyl amide

HRID 691606Notes

Reaction equation

HRID 691606 reaction equation
[BrH:1].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH3:2][CH:3]1[n:4]2[cH:5][cH:6][n:7][c:8]2-[c:9]2[c:10]([C:15](=[O:16])[OH:17])[cH:11][nH:12][c:13]2[CH2:14]1.[ClH:25].[NH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Na+:38].[OH-:37].[OH2:39]>>[CH3:2][CH:3]1[n:4]2[cH:5][cH:6][n:7][c:8]2-[c:9]2[c:10]([C:15](=[O:17])[NH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:11][nH:12][c:13]2[CH2:14]1

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6115AnilineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 312751,4-DioxaneHCID 223187647-Methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-12-carboxylic acid

Product 1

HCID 206056014-methyl-5,6-dihydro-4H-1,3a,6-triaza-as-indacene-8-carboxylic acid phenyl amide

Sources & evidence

ORD record
ord-c4bc3cf12cda40cf90b62cc823cb6557
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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