Sulfuric Acid → 5,11-Dihydro-9-methyl-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

HRID 194123

Reaction equation

HRID 194123 reaction equation
[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:19][c:20]1[c:21]([NH2:22])[cH:23][cH:24][cH:25][n:26]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([Cl:13])[n:9][cH:10][cH:11][cH:12]2)[cH:14][cH:15][c:16]([CH3:18])[cH:17]1.[NH2:27][c:28]1[cH:29][c:30]([CH3:31])[cH:32][cH:33][c:34]1[C:35]([O:36][CH3:37])=[O:38].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43].[S:44]1(=[O:49])(=[O:50])[CH2:45][CH2:46][CH2:47][CH2:48]1>>[NH:1]1[c:2]2[c:3]([cH:14][cH:15][c:16]([CH3:18])[cH:17]2)[C:4](=[O:5])[NH:6][c:7]2[c:8]1[n:9][cH:10][cH:11][cH:12]2

Participants

7

Reactant 6

HCID 1118Sulfuric AcidHCID 1140TolueneHCID 31347SulfolaneHCID 805282-Chloro-3-pyridylamineHCID 11205965Methyl 2-amino-4-methylbenzoateHCID 142099722-amino-N-(2-chloro-pyridin-3-yl)-4-methyl-benzamide

Product 1

HCID 142099755,11-Dihydro-9-methyl-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Sources & evidence

ORD record
ord-df9ed58d60c2482d90c5ff330974cb57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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