1,1-Dichloroethane → HCID 178493777, compound

HRID 2335957Notes

Reaction equation

HRID 2335957 reaction equation
[CH:35]12[O:36][CH2:37][CH:38]([NH:39][CH2:40]1)[CH2:41]2.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:51][CH:52]([Cl:53])[CH3:54].[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[c:1]1([O:2][C:8]([NH:9][c:10]2[s:11][c:12]3[c:13]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[n:14][cH:15][c:16]([O:19][CH3:20])[c:17]3[n:18]2)=[O:27])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[s:11][c:12]2[c:13]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[n:14][cH:15][c:16]([O:19][CH3:20])[c:17]2[n:18]1)(=[O:27])[N:39]1[CH:38]2[CH2:37][O:36][CH:35]([CH2:40]1)[CH2:41]2

Participants

7

Reactant 6

HCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 36145512-Oxa-5-azabicyclo(2.2.1)heptaneHCID 86597258(7-Methoxy-4-morpholin-4-yl-thiazolo[5,4-c]pyridin-2-yl)-carbamic acid phenyl ester

Product 1

HCID 178493777HCID 178493777, compound

Sources & evidence

ORD record
ord-ffa190726a38415ea1d339f416bb4bb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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