1,2-Dichloroethane → HCID 72987482, compound

HRID 176130Notes

Reaction equation

HRID 176130 reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH2:68]([Cl:69])[Cl:70].[CH3:60][C:61](=[O:62])[OH:63].[CH:1]1([CH:6]=[O:7])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:64][CH2:65][CH2:66][Cl:67].[F:8][C:9]([c:10]1[cH:11][c:12]([CH2:13][N:14]([CH:15]2[c:16]3[c:17]([cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[c:24]([CH3:26])[cH:25]3)[NH:18][CH2:19][CH2:20][CH2:21]2)[c:31]2[n:32][n:33][n:34]([CH3:36])[n:35]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[Na+:59]>>[CH:1]1([CH2:6][N:18]2[c:17]3[c:16]([cH:25][c:24]([CH3:26])[c:23]([C:27]([F:28])([F:29])[F:30])[cH:22]3)[CH:15]([N:14]([CH2:13][c:12]3[cH:11][c:10]([C:9]([F:8])([F:44])[F:45])[cH:39][c:38]([C:40]([F:41])([F:42])[F:43])[cH:37]3)[c:31]3[n:32][n:33][n:34]([CH3:36])[n:35]3)[CH2:21][CH2:20][CH2:19]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 70106CyclopentanecarbaldehydeHCID 2724942TriacetoxyborohydrideHCID 72297395N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-(2-methyltetrazol-5-yl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

Product 1

HCID 72987482HCID 72987482, compound

Sources & evidence

ORD record
ord-9fad3552124b4a59a9f9739c4b29861e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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