1,2-Dichloroethane → HCID 86638094, compound

HRID 117264Notes

Reaction equation

HRID 117264 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][C:8](=[O:11])[CH2:9][CH2:10]1.[CH3:31][C:32](=[O:33])[OH:34].[Cl:12][c:13]1[n:14][c:15]2[c:16]([c:17]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[n:18]1)[s:25][c:26]([CH2:28][NH:29][CH3:30])[cH:27]2.[Cl:49][CH2:50][CH2:51][Cl:52].[Cl:53][CH2:54][Cl:55].[Na+:48]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][CH:8]([N:29]([CH2:28][c:26]2[s:25][c:16]3[c:15]([n:14][c:13]([Cl:12])[n:18][c:17]3[N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:27]2)[CH3:30])[CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 120720291-(Methylsulphonyl)piperidin-4-oneHCID 595929371-(2-Chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine

Product 1

HCID 86638094HCID 86638094, compound

Sources & evidence

ORD record
ord-4c316724a8214840b223d8aecad5d505
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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