Ethanolamine → HCID 58016721, compound

HRID 1120959Notes

Reaction equation

HRID 1120959 reaction equation
[CH3:1][c:2]1[cH:3][c:4](-[c:24]2[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]2)[c:5]([C:21](=[O:22])[OH:23])[n:6][c:7]1[C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([N:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:14][CH2:15]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[NH2:34][CH2:35][CH2:36][OH:37].[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>>[CH3:1][c:2]1[cH:3][c:4](-[c:24]2[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]2)[c:5]([C:21](=[O:22])[NH:34][CH2:35][CH2:36][OH:37])[n:6][c:7]1[C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([N:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:14][CH2:15]1

Participants

7

Reactant 6

HCID 700EthanolamineHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57441165HCID 57441165, compound

Product 1

HCID 58016721HCID 58016721, compound

Sources & evidence

ORD record
ord-b5af7cfc9e134e6f890cd1685bd19d00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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