Acetyl chloride → HCID 11705135, compound

HRID 106326Notes

Reaction equation

HRID 106326 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH2:5]([CH2:6][CH2:7][CH3:8])[N:9]1[S:10](=[O:32])(=[O:33])[C:11]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[C:12]([NH:15][c:16]2[cH:17][c:18]3[c:23]([cH:24][cH:25]2)[CH2:22][NH:21][CH2:20][CH2:19]3)[C:13]1=[O:14].[CH3:1][C:2]([Cl:3])=[O:4].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39]>>[CH3:1][C:2](=[O:4])[N:21]1[CH2:20][CH2:19][c:18]2[cH:17][c:16]([NH:15][C:12]3=[C:11]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[S:10](=[O:32])(=[O:33])[N:9]([CH2:5][CH2:6][CH2:7][CH3:8])[C:13]3=[O:14])[cH:25][cH:24][c:23]2[CH2:22]1

Participants

5

Reactant 4

HCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 115967233(2H)-Isothiazolone, 2-butyl-5-phenyl-4-[(1,2,3,4-tetrahydro-6-isoquinolinyl)amino]-, 1,1-dioxide

Product 1

HCID 11705135HCID 11705135, compound

Sources & evidence

ORD record
ord-88d9819ccad044deb4348beab2eb1e9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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