1,2-Dichloroethane → HCID 59375142, compound

HRID 303432Notes

Reaction equation

HRID 303432 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:35][C:36]([CH3:37])=[O:38].[CH3:39][C:40](=[O:41])[OH:42].[Cl:62][CH2:63][CH2:64][Cl:65].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7](-[c:18]4[c:19]([CH3:34])[c:20]([NH:24][C:25]([c:26]5[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]5)=[O:33])[cH:21][cH:22][cH:23]4)[cH:8][cH:9][c:10]([C:15](=[O:16])[NH2:17])[c:11]3[nH:12][c:13]2[cH:14]1.[Na+:56].[Na+:61].[O-:57][C:58]([OH:59])=[O:60]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7](-[c:18]4[c:19]([CH3:34])[c:20]([NH:24][C:25]([c:26]5[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]5)=[O:33])[cH:21][cH:22][cH:23]4)[cH:8][cH:9][c:10]([C:15](=[O:16])[NH2:17])[c:11]3[nH:12][c:13]2[cH:14]1)[CH:36]([CH3:35])[CH3:37]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 59375083HCID 59375083, compound

Product 1

HCID 59375142HCID 59375142, compound

Sources & evidence

ORD record
ord-6814ad3647704ce49f90ae9981758115
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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