1,2-Dichloroethane → HCID 178505792, compound

HRID 665558Notes

Reaction equation

HRID 665558 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:50](=[O:51])([OH:52])[O-:53].[CH3:32][C:33](=[O:34])[OH:35].[Cl:55][CH2:56][CH2:57][Cl:58].[F:23][c:24]1[cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31]1.[NH2:1][CH2:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([NH:13][CH:14]3[CH2:15][CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]43)[n:9][c:10]2[cH:11][cH:12]1.[Na+:49].[Na+:54]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([NH:13][CH:14]3[CH2:15][CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]43)[n:9][c:10]2[cH:11][cH:12]1)[CH2:28][c:27]1[cH:26][cH:25][c:24]([F:23])[cH:31][cH:30]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 680234-FluorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 77529901HCID 77529901, compound

Product 1

HCID 178505792HCID 178505792, compound

Sources & evidence

ORD record
ord-7853b345d5224ceebeefb0d44ebcbc99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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