1,2-Dichloroethane → HCID 178434786, compound

HRID 302084Notes

Reaction equation

HRID 302084 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:1][c:2]1[n:3][s:4][cH:5][c:6]1-[c:7]1[c:8](=[O:18])[nH:9][c:10](=[O:17])[n:11]([CH2:13][CH2:14][CH:15]=[O:16])[cH:12]1.[CH3:35][C:36](=[O:37])[OH:38].[Cl:58][CH2:59][CH2:60][Cl:61].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([C:27]23[CH2:28][NH:29][CH2:30][CH:31]2[CH2:32]3)[cH:25][cH:26]1)([F:33])[F:34].[Na+:52].[Na+:57].[O-:53][C:54]([OH:55])=[O:56]>>[CH3:1][c:2]1[n:3][s:4][cH:5][c:6]1-[c:7]1[c:8](=[O:18])[nH:9][c:10](=[O:17])[n:11]([CH2:13][CH2:14][CH2:15][N:29]2[CH2:28][C:27]3([c:24]4[cH:23][cH:22][c:21]([C:20]([F:19])([F:33])[F:34])[cH:26][cH:25]4)[CH:31]([CH2:30]2)[CH2:32]3)[cH:12]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 127198481-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneHCID 594483533-[5-(3-methyl-4-isothiazolyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]propanal

Product 1

HCID 178434786HCID 178434786, compound

Sources & evidence

ORD record
ord-8dab41b452304f4b846d3f15ab4f96de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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