Ethanolamine → HCID 20508555, compound

HRID 686960Notes

Reaction equation

HRID 686960 reaction equation
[CH3:63][C:64]#[N:65].[Cl:1][CH:2]([Cl:3])[CH3:4].[F:5][c:6]1[c:7]([C:12]2=[N:13][CH2:14][c:15]3[n:16]([c:26]([CH3:29])[n:27][n:28]3)-[c:17]3[c:18]2[cH:19][c:20]([N:23]=[C:24]=[O:25])[cH:21][cH:22]3)[cH:8][cH:9][cH:10][cH:11]1.[NH2:30][c:31]1[cH:32][cH:33][c:34]2[c:51]([cH:52]1)[C:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[F:50])=[N:42][CH2:41][c:40]1[n:35]-2[c:36]([CH3:37])[n:38][n:39]1.[NH2:59][CH2:60][CH2:61][OH:62].[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58]>>[F:5][c:6]1[c:7]([C:12]2=[N:13][CH2:14][c:15]3[n:16]([c:26]([CH3:29])[n:27][n:28]3)-[c:17]3[c:18]2[cH:19][c:20]([NH:23][C:24](=[O:25])[NH:59][CH2:60][CH2:61][OH:62])[cH:21][cH:22]3)[cH:8][cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 700EthanolamineHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 63651,1-DichloroethaneHCID 19660Carbonate IonHCID 205085528-Amino-6-(o-fluorophenyl)-1-methyl-4H-s-triazolo[4,3-a][1,4]benzodiazepineHCID 20508556HCID 20508556, compound

Product 1

HCID 20508555HCID 20508555, compound

Sources & evidence

ORD record
ord-c06158cde00841e1ab235bbf1d373404
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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