1,2-Dichloroethane → Hydrochloric Acid

HRID 117376Notes

Reaction equation

HRID 117376 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55](=[O:56])([OH:57])[O-:58].[CH3:64][C:65](=[O:66])[OH:67].[Cl:60][CH2:61][CH2:62][Cl:63].[ClH:1].[ClH:2].[ClH:3].[ClH:4].[NH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH:11]1[CH2:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][n:19][c:20]21)[CH2:21][c:22]1[n:23][n:24][n:25](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:26]1.[Na+:54].[Na+:59].[n:33]1[c:34]([CH:39]=[O:40])[cH:35][cH:36][cH:37][cH:38]1>>[ClH:1].[NH:5]([CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH:11]1[CH2:12][CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][n:19][c:20]21)[CH2:21][c:22]1[n:23][n:24][n:25](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:26]1)[CH2:39][c:34]1[n:33][cH:38][cH:37][cH:36][cH:35]1

Participants

10

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric Acid4×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 142732-PyridinecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 59176462HCID 59176462, compound

Product 2

HCID 313Hydrochloric AcidHCID 59176423HCID 59176423, compound

Sources & evidence

ORD record
ord-88fb4e3dad1f48178bf7214d70471d86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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