1,2-Dichloroethane → HCID 68857498, compound

HRID 183137Notes

Reaction equation

HRID 183137 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:36]=[O:37].[CH3:56][OH:57].[Cl:1][c:2]1[c:3](-[c:21]2[cH:22][c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][c:29]3[C:30]([NH:31][CH:32]2[CH2:33][CH2:34]2)=[O:35])[n:4][c:5]([NH:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[CH:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[n:6][cH:7]1.[Cl:52][CH2:53][CH2:54][Cl:55].[Na+:51]>>[Cl:1][c:2]1[c:3](-[c:21]2[cH:22][c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][c:29]3[C:30]([NH:31][CH:32]2[CH2:33][CH2:34]2)=[O:35])[n:4][c:5]([NH:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[CH:15]2[CH2:16][CH2:17][N:18]([CH3:38])[CH2:19][CH2:20]2)[n:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 86625388HCID 86625388, compound

Product 1

HCID 68857498HCID 68857498, compound

Sources & evidence

ORD record
ord-80fdf7d395bd4503b80c62c78ea94b9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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