1,2-Dichloroethane → HCID 72321871, compound

HRID 138984Notes

Reaction equation

HRID 138984 reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:34][NH:35][CH3:36].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:18]3=[N:22][CH:21]([CH2:23][CH2:24][N:25]4[CH2:26][CH:27]([C:31](=[O:32])[OH:33])[CH2:28][CH2:29][CH2:30]4)[CH2:20][S:19]3)[nH:7][c:8]2[c:9]([NH:11][CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:10]1.[Na+: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>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:18]3=[N:22][CH:21]([CH2:23][CH2:24][N:25]4[CH2:26][CH:27]([C:31](=[O:32])[N:35]([CH3:34])[CH3:36])[CH2:28][CH2:29][CH2:30]4)[CH2:20][S:19]3)[nH:7][c:8]2[c:9]([NH:11][CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:10]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 674DimethylamineHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 66974210HCID 66974210, compound

Product 1

HCID 72321871HCID 72321871, compound

Sources & evidence

ORD record
ord-ebbe2c7f3de1434d901c9769e913d793
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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