1,2-Dichloroethane → HCID 53494813, compound

HRID 143558Notes

Reaction equation

HRID 143558 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58])[CH3:59].[CH3:29][C:30]([CH3:31])=[O:32].[CH3:33][C:34](=[O:35])[OH:36].[CH3:64][OH:65].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:27][cH:28]1)-[n:6]1[c:7]([CH:14]3[CH2:15][CH2:16][CH:17]([c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[F:26])[CH2:18][CH2:19]3)[n:8][n:9][c:10]1[CH2:11][NH:12][CH2:13]2.[Cl:60][CH2:61][CH2:62][Cl:63].[Na+:50]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:27][cH:28]1)-[n:6]1[c:7]([CH:14]3[CH2:15][CH2:16][CH:17]([c:20]4[n:21][cH:22][cH:23][cH:24][c:25]4[F:26])[CH2:18][CH2:19]3)[n:8][n:9][c:10]1[CH2:11][N:12]([CH:30]([CH3:29])[CH3:31])[CH2:13]2

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 180AcetoneHCID 887MethanolHCID 923Sodium ionHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 53492956trans-8-chloro-1-[4-(3-fluoro-pyridin-2-yl)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Product 1

HCID 53494813HCID 53494813, compound

Sources & evidence

ORD record
ord-4b4e5f16600948f18af4c947d853d880
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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