Ethanolamine → HCID 25262516, compound

HRID 1126425Notes

Reaction equation

HRID 1126425 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][C:41]#[N:42].[Cl:1][c:2]1[n:3][c:4]([NH:9][CH:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[NH:18][CH2:19][c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[n:7]1.[K+:38].[K+:39].[NH2:30][CH2:31][CH2:32][OH:33]>>[c:2]1([NH:30][CH2:31][CH2:32][OH:33])[n:3][c:4]([NH:9][CH:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[NH:18][CH2:19][c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[n:7]1

Participants

6

Reactant 5

HCID 700EthanolamineHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 59448228HCID 59448228, compound

Product 1

HCID 25262516HCID 25262516, compound

Sources & evidence

ORD record
ord-83edebf7f2c74422af569d49f0ba7bc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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