Water → N-(3-chloropyridin-2-yl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

HRID 162160

Reaction equation

HRID 162160 reaction equation
[CH3:25][SiH:26]([CH3:27])[N:28]([CH3:29])[Si:30]([CH3:31])([CH3:32])[CH3:33].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:51][C:52]#[N:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:24]2)-[c:15]2[c:16]([cH:20][cH:21][cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[n:4][cH:5][cH:6][cH:7]1.[Cl:34][Si:35]([CH2:36][Cl:37])([CH3:38])[CH3:39].[Cs+:50].[F-:49].[OH2:54]>>[Cl:1][c:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:24]2)-[c:15]2[c:16]([cH:20][cH:21][cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[CH3:25])[n:4][cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 962WaterHCID 6342AcetonitrileHCID 8150DiglymeHCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 74393Silane, chloro(chloromethyl)dimethyl-HCID 104967Cesium cationHCID 589711N-dimethylsilyl-N-trimethylsilylmethanamineHCID 57900342N-(3-chloropyridin-2-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Product 1

HCID 57900248N-(3-chloropyridin-2-yl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Sources & evidence

ORD record
ord-39c55f36ed794ed0a7fe76d9659aee34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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