1,2-Dichloroethane → HCID 136005826, compound

HRID 1119704Notes

Reaction equation

HRID 1119704 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:37][NH2:38].[CH3:54][C:55](=[O:56])[OH:57].[CH:5]1([c:11]2[n:12][n:13]([CH3:36])[c:14]3[n:15][c:16](-[c:21]4[c:22]([O:34][CH3:35])[cH:23][c:24]([N:27]5[CH2:28][CH2:29][C:30](=[O:33])[CH2:31][CH2:32]5)[cH:25][cH:26]4)[nH:17][c:18](=[O:20])[c:19]23)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1.[Cl:1][CH2:2][CH2:3][Cl:4].[Na+:52].[OH2:53]>>[CH:5]1([c:11]2[n:12][n:13]([CH3:36])[c:14]3[n:15][c:16](-[c:21]4[c:22]([O:34][CH3:35])[cH:23][c:24]([N:27]5[CH2:28][CH2:29][CH:30]([NH:38][CH3:37])[CH2:31][CH2:32]5)[cH:25][cH:26]4)[nH:17][c:18](=[O:20])[c:19]23)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6329MethylamineHCID 2724942TriacetoxyborohydrideHCID 136005896HCID 136005896, compound

Product 1

HCID 136005826HCID 136005826, compound

Sources & evidence

ORD record
ord-7a433a1744b148ab9ba400fed5d99edc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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