1,2-Dichloroethane → HCID 67264073, compound

HRID 1150260Notes

Reaction equation

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

Participants

Reactant 9

HCID 111,2-Dichloroethane

HCID 180Acetone

HCID 312Chloride4×

HCID 769Bicarbonate Ion

HCID 923Sodium ion2×

HCID 6344Dichloromethane

HCID 114942Titanium cation (4+)

HCID 2724942Triacetoxyborohydride

HCID 109871302,3,4,5-Tetrahydro-7-nitro-1,5-benzoxazepine

Product 1

HCID 67264073HCID 67264073, compound

Sources & evidence

ORD record: ord-411eb9146f314f9581326d5017e4e9bc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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