1,2-Dichloroethane → HCID 21093444, compound

HRID 184917Notes

Reaction equation

HRID 184917 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH2:32]=[O:33].[Cl:48][CH2:49][CH2:50][Cl:51].[F:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH:10]2[CH2:11][N:12]([C:16]3=[N:22][c:21]4[c:20]([cH:26][cH:25][cH:24][cH:23]4)[NH:19][c:18]4[c:17]3[cH:30][cH:29][c:28]([CH3:31])[cH:27]4)[CH2:13][CH2:14][NH:15]2)[cH:5][cH:6][cH:7]1.[Na+:47]>>[F:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH:10]2[CH2:11][N:12]([C:16]3=[N:22][c:21]4[c:20]([cH:26][cH:25][cH:24][cH:23]4)[NH:19][c:18]4[c:17]3[cH:30][cH:29][c:28]([CH3:31])[cH:27]4)[CH2:13][CH2:14][N:15]2[CH3:34])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 712FormaldehydeHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 178422549HCID 178422549, compound

Product 1

HCID 21093444HCID 21093444, compound

Sources & evidence

ORD record
ord-5bdcb62f1784485c8ad8061d2e61331d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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