Dimethyl Sulfoxide → 2-((Benzylamino)methyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-e]indol-8(9H)-one

HRID 1572802Notes

Reaction equation

HRID 1572802 reaction equation
[CH3:50][S:51]([CH3:52])=[O:53].[NH2:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:27]([CH2:28][CH:29]1[O:30][CH2:31]1)[S:32]([c:33]1[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]1)(=[O:40])=[O:41].[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>>[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)[NH:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 7504BenzylamineHCID 160868Glycidyl tosylateHCID 15381105(8-Oxo-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-2-yl)methyl 4-methylbenzenesulfonate

Product 1

HCID 99103252-((Benzylamino)methyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-e]indol-8(9H)-one

Sources & evidence

ORD record
ord-671f07b4aee64738ba3ec5af4cbd2a12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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