Dimethyl Sulfoxide → 2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinylmethyl)-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one

HRID 1544070Notes

Reaction equation

HRID 1544070 reaction equation
[C:52]([O:53][CH2:54][CH3:55])(=[O:56])[CH3:57].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH:12]2[CH2:13][O:14][c:15]3[c:16]([c:17]4[c:21]([cH:22][cH:23]3)[NH:20][C:19](=[O:24])[CH2:18]4)[O:25]2)(=[O:8])=[O:9])[cH:10][cH:26]1.[s:27]1[n:28][c:29]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[c:30]2[c:31]1[cH:32][cH:33][cH:34][cH:35]2>>[CH2:11]([CH:12]1[CH2:13][O:14][c:15]2[c:16]([c:17]3[c:21]([cH:22][cH:23]2)[NH:20][C:19](=[O:24])[CH2:18]3)[O:25]1)[N:39]1[CH2:38][CH2:37][N:36]([c:29]2[n:28][s:27][c:31]3[c:30]2[cH:35][cH:34][cH:33][cH:32]3)[CH2:41][CH2:40]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 15381105(8-Oxo-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-2-yl)methyl 4-methylbenzenesulfonate

Product 1

HCID 699552932-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinylmethyl)-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one

Sources & evidence

ORD record
ord-aeca7c714b54424b9cbc02e560a4e3c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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