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1,2-Dichloroethane → N-(1H-indol-6-ylmethyl)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

HRID 1223685
Notes
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Reaction equation

HRID 1223685 reaction equation
[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH3:15][N:16]1[CH2:17][C:18](=[O:32])[NH:19][c:20]2[c:21]([cH:23][c:24]([CH:27]=[CH:28][C:29](=[O:30])[OH:31])[cH:25][n:26]2)[CH2:22]1.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[ClH:13].[ClH:14].[ClH:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52].[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:10][NH:11][CH3:12])[cH:8][c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:10][N:11]([CH3:12])[C:29]([CH:28]=[CH:27][c:24]3[cH:23][c:21]4[c:20]([n:26][cH:25]3)[NH:19][C:18](=[O:32])[CH2:17][N:16]([CH3:15])[CH2:22]4)=[O:31])[cH:8][c:9]12
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 33754749((1H-indol-6-yl)methyl)(methyl)amine
HCID 66966201
3-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acid

Product 1

HCID 66966864N-(1H-indol-6-ylmethyl)-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

Sources & evidence

ORD record
ord-f46bffe7f38c4ac69914529aec165af2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes