Dimethyl Sulfoxide → HCID 10092687, compound

HRID 2331565Notes

Reaction equation

HRID 2331565 reaction equation
[CH2:42]([Cl:43])[Cl:44].[CH3:45][S:46]([CH3:47])=[O:48].[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.[n:27]1[cH:28][cH:29][cH:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH2:38][CH2:39][CH2:40][NH2:41])[cH:35][c:36]12>>[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:41][CH2:40][CH2:39][CH2:38][O:37][c:34]1[cH:33][cH:32][c:31]2[cH:30][cH:29][cH:28][n:27][c:36]2[cH:35]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 15381105(8-Oxo-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-2-yl)methyl 4-methylbenzenesulfonateHCID 21842665HCID 21842665, compound

Product 1

HCID 10092687HCID 10092687, compound

Sources & evidence

ORD record
ord-17b0a43a67b14522ac4bf227808eb348
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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