Ethanolamine → HCID 23660309, compound

HRID 2142879Notes

Reaction equation

HRID 2142879 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]2[c:17]([n:18]1[CH2:19][CH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[n:33]1[cH:34][c:35]([C:38](=[O:39])[OH:40])[cH:36][cH:37]1)[cH:29]2.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:41][CH2:42][CH2:43][OH:44].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]2[c:17]([n:18]1[CH2:19][CH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[n:33]1[cH:34][c:35]([C:38](=[O:40])[NH:41][CH2:42][CH2:43][OH:44])[cH:36][cH:37]1)[cH:29]2

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 579373191-{[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxylic acid

Product 1

HCID 23660309HCID 23660309, compound

Sources & evidence

ORD record
ord-b95b271b6b414cc292280df353b15d2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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