1,2-Dichloroethane → HCID 178522448, compound

HRID 195908Notes

Reaction equation

HRID 195908 reaction equation
[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:1][O:2][C:3]([c:4]1[c:5]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7][cH:8][cH:9]1)=[O:18].[CH3:51][S:52]([CH3:53])=[O:54].[F:21][c:22]1[cH:23][cH:24][c:25]([NH:28][C:29](=[O:30])[c:31]2[n:32][nH:33][cH:34][c:35]2[NH2:36])[cH:26][cH:27]1.[Na+:20].[OH-:19].[OH2:55].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:3]([c:4]1[c:5]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7][cH:8][cH:9]1)(=[O:18])[NH:36][c:35]1[c:31]([C:29]([NH:28][c:25]2[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]2)=[O:30])[n:32][nH:33][cH:34]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 757711-HydroxybenzotriazoleHCID 59733402Methyl 2-(2-(pyrrolidin-1-yl)ethoxy)benzoateHCID 178508056HCID 178508056, compound

Product 1

HCID 178522448HCID 178522448, compound

Sources & evidence

ORD record
ord-8f2ce506b4a64c29b7f12e0afe8e92b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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