Water → 5-fluoro-2-(2,3,4,5-tetrahydro-1H-1-benzoazepin-1-ylsulfonyl)-4-(1,3-dioxo-1,3-dihydroisoindol-2-yl)anisole

HRID 155277

Reaction equation

HRID 155277 reaction equation
[CH2:53]([Cl:54])[Cl:55].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[F:19][c:20]1[cH:21][c:22]([O:41][CH3:42])[c:23]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:24][c:25]1[N:26]1[C:27](=[O:36])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[C:34]1=[O:35].[NH:1]1[c:2]2[c:3]([cH:8][cH:9][cH:10][cH:11]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[OH2:43]>>[N:1]1([S:37]([c:23]2[c:22]([O:41][CH3:42])[cH:21][c:20]([F:19])[c:25]([N:26]3[C:27](=[O:36])[c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[C:34]3=[O:35])[cH:24]2)(=[O:38])=[O:39])[c:2]2[c:3]([cH:8][cH:9][cH:10][cH:11]2)[CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 5765032,3,4,5-tetrahydro-1H-1-benzazepineHCID 593097434-Fluoro-5-(1,3-dioxo-1,3-dihydroisoindol-2-yl)-2-methoxybenzenesulfonyl chloride

Product 1

HCID 685144615-fluoro-2-(2,3,4,5-tetrahydro-1H-1-benzoazepin-1-ylsulfonyl)-4-(1,3-dioxo-1,3-dihydroisoindol-2-yl)anisole

Sources & evidence

ORD record
ord-29c4dfeb4a7e4a48945fb1968aa79deb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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