1,2-Dichloroethane → HCID 178453783, compound

HRID 195404Notes

Reaction equation

HRID 195404 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[NH:22][CH:23]([C:24](=[O:25])[N:26]1[CH:27]([C:28](=[O:29])[OH:30])[CH2:31][CH2:32][CH2:33]1)[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[CH2:1]([Cl:2])[CH2:3][Cl:4].[Cl:40][c:41]1[cH:42][cH:43][c:44](-[c:49]2[n:50][n:51][s:52][cH:53]2)[c:45]([CH2:47][NH2:48])[cH:46]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:5][n:6]1[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[n:13][n:14]1>>[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[NH:22][CH:23]([C:24](=[O:25])[N:26]1[CH:27]([C:28](=[O:29])[NH:48][CH2:47][c:45]2[c:44](-[c:49]3[n:50][n:51][s:52][cH:53]3)[cH:43][cH:42][c:41]([Cl:40])[cH:46]2)[CH2:31][CH2:32][CH2:33]1)[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 181649HOAtHCID 21866164HCID 21866164, compoundHCID 21866267HCID 21866267, compound

Product 1

HCID 178453783HCID 178453783, compound

Sources & evidence

ORD record
ord-0bdf4874703147eb9974e804484dd52f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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