1,2-Dichloroethane → HCID 70162931, compound

HRID 2338551Notes

Reaction equation

HRID 2338551 reaction equation
[C:1]12([CH2:11][CH2:12][c:13]3[c:14]([CH:26]=[O:27])[n:15][c:16](-[c:19]4[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]4)[n:17]3[CH3:18])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[C:63](=[O:64])([OH:65])[O-:66].[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:35][C:36]([c:37]1[cH:38][c:39]([NH2:43])[cH:40][cH:41][cH:42]1)=[O:44].[CH3:59][C:60](=[O:61])[OH:62].[Cl:68][CH2:69][CH2:70][Cl:71].[Na+:58].[Na+:67]>>[C:1]12([CH2:11][CH2:12][c:13]3[c:14]([CH2:26][NH:43][c:39]4[cH:38][c:37]([C:36]([O:35][CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)=[O:44])[cH:42][cH:41][cH:40]4)[n:15][c:16](-[c:19]4[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]4)[n:17]3[CH3:18])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 15428374Benzyl 3-aminobenzoateHCID 184054185-(2-Adamantan-1-yl-ethyl)-1-methyl-2-o-tolyl-1H-imidazole-4-carbaldehyde

Product 1

HCID 70162931HCID 70162931, compound

Sources & evidence

ORD record
ord-4a2be89da84a47b5b2ece44e7b573ac9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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