Methanol → 4-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

HRID 1146400Notes

Reaction equation

HRID 1146400 reaction equation
[Br:1][CH2:2][CH:3]=[CH:4][C:5](=[O:6])[OH:7].[CH3:16][N:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[CH3:48][OH:49].[Cl:23][c:24]1[cH:25][c:26]([NH:31][c:32]2[n:33][cH:34][n:35][c:36]3[s:37][c:38]4[c:43]([c:44]23)[CH2:42][CH2:41][NH:40][CH2:39]4)[cH:27][cH:28][c:29]1[F:30].[Cl:45][CH2:46][Cl:47].[Cl:50][CH2:51][Cl:52].[Cl:8][C:9]([O:10][CH2:11][CH:12]([CH3:13])[CH3:14])=[O:15]>>[Br:1][CH2:2][CH:3]=[CH:4][C:5](=[O:7])[N:40]1[CH2:39][c:38]2[s:37][c:36]3[n:35][cH:34][n:33][c:32]([NH:31][c:26]4[cH:25][c:24]([Cl:23])[c:29]([F:30])[cH:28][cH:27]4)[c:44]3[c:43]2[CH2:42][CH2:41]1

Participants

7

Reactant 6

HCID 887MethanolHCID 6344Dichloromethane2×HCID 79724-MethylmorpholineHCID 62365Isobutyl chloroformateHCID 841404-Bromo-2-butenoic acidHCID 58116889(3-Chloro-4-fluoro-phenyl)-(5,6,7,8-tetrahydro-9-thia-1,3,7-triaza-fluoren-4-yl)-amine

Product 1

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

Sources & evidence

ORD record
ord-8d999853388544e2a7a73d1b3f8ec4cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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