Bicarbonate Ion → (5,11-Dihydro-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone

HRID 1567998Notes

Reaction equation

HRID 1567998 reaction equation
[C:54](=[O:55])([OH:56])[O-:57].[CH3:1][c:2]1[n:3][n:4](-[c:7]2[cH:8][c:9]([C:16]([F:17])([F:18])[F:19])[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]2)[cH:5][cH:6]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:62][N:63]([CH3:64])[c:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1.[Cl:27][C:28]1([C:36]([Cl:37])=[O:38])[CH:29]=[C:30]([Cl:31])[CH:32]=[C:33]([Cl:34])[CH2:35]1.[Cl:59][CH2:60][Cl:61].[Na+:58].[n:39]1[cH:40][cH:41][cH:42][c:43]2[c:44]1[NH:45][c:46]1[c:47]([cH:50][cH:51][cH:52][cH:53]1)[NH:48][CH2:49]2>>[CH3:1][c:2]1[n:3][n:4](-[c:7]2[cH:8][c:9]([C:16]([F:17])([F:18])[F:19])[c:10]([C:11](=[O:13])[N:48]3[c:47]4[c:46]([cH:53][cH:52][cH:51][cH:50]4)[NH:45][c:44]4[n:39][cH:40][cH:41][cH:42][c:43]4[CH2:49]3)[cH:14][cH:15]2)[cH:5][cH:6]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 110307606,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepineHCID 155410864-(3-Methyl-1H-pyrazol-1-yl)-2-trifluoromethylbenzoic acidHCID 867555271,3,5-Trichlorobenzoylchloride

Product 1

HCID 9824954(5,11-Dihydro-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone

Sources & evidence

ORD record
ord-32497752e4ab4a13a473b9c34c97f99d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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