Ethanolamine → HCID 77151897, compound

HRID 1540548Notes

Reaction equation

HRID 1540548 reaction equation
[C:1](#[N:2])[C:3]1=[C:4]([CH3:36])[N:5]([c:26]2[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]2)[C:6](=[O:25])[N:7]([CH2:21][C:22](=[O:23])[OH:24])[CH:8]1[c:9]1[c:10]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1.[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[NH2:61][CH2:62][CH2:63][OH:64].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1](#[N:2])[C:3]1=[C:4]([CH3:36])[N:5]([c:26]2[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]2)[C:6](=[O:25])[N:7]([CH2:21][C:22](=[O:23])[NH:61][CH2:62][CH2:63][OH:64])[CH:8]1[c:9]1[c:10]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 700EthanolamineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178428456HCID 178428456, compound

Product 1

HCID 77151897HCID 77151897, compound

Sources & evidence

ORD record
ord-b2781a4073364b3caa35ac406cf59438
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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