1,2-Dichloroethane → HCID 59176539, compound

HRID 1213901Notes

Reaction equation

HRID 1213901 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:49](=[O:50])([OH:51])[O-:52].[CH3:58][C:59](=[O:60])[OH:61].[Cl:54][CH2:55][CH2:56][Cl:57].[Na+:48].[Na+:53].[n:12]1[cH:13][cH:14][cH:15][c:16]2[c:21]1[CH:20]([NH:22][CH2:23][CH2:24][CH2:25][CH2:26][NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:19][CH2:18][CH2:17]2.[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([CH:10]=[O:11])[c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([CH2:10][N:22]([CH:20]3[CH2:19][CH2:18][CH2:17][c:16]4[cH:15][cH:14][cH:13][n:12][c:21]43)[CH2:23][CH2:24][CH2:25][CH2:26][NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:9]12

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 2734629Indole-7-carboxaldehydeHCID 42609132558446-23-4

Product 1

HCID 59176539HCID 59176539, compound

Sources & evidence

ORD record
ord-848ef54a776e4f1dbffca480d6cce55c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…