Dimethylamine → 1-[3-(3-Chloro-4-fluoroanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(dimethylamino)but-2-en-1-one

HRID 671704Notes

Reaction equation

HRID 671704 reaction equation
[Br:1][CH2:2][CH:3]=[CH:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][c:10]2[c:11]3[c:12]([NH:20][c:21]4[cH:22][c:23]([Cl:28])[c:24]([F:27])[cH:25][cH:26]4)[n:13][cH:14][n:15][c:16]3[s:17][c:18]2[CH2:19]1.[CH3:29][NH:30][CH3:31].[CH3:32][OH:33].[Cl:34][CH2:35][Cl:36].[Cl:37][CH2:38][Cl:39]>>[CH2:2]([CH:3]=[CH:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][c:10]2[c:11]3[c:12]([NH:20][c:21]4[cH:22][c:23]([Cl:28])[c:24]([F:27])[cH:25][cH:26]4)[n:13][cH:14][n:15][c:16]3[s:17][c:18]2[CH2:19]1)[N:30]([CH3:29])[CH3:31]

Participants

5

Reactant 4

HCID 674DimethylamineHCID 887MethanolHCID 6344Dichloromethane2×HCID 668497424-Bromo-1-[4-(3-chloro-4-fluoro-phenylamino)-5,8-dihydro-6H-9-thia-1,3,7-triaza-fluoren-7-yl]-but-2-en-1-one

Product 1

HCID 668776901-[3-(3-Chloro-4-fluoroanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(dimethylamino)but-2-en-1-one

Sources & evidence

ORD record
ord-e68cb2479ea24ed98edba09d73223af5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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