1,2-Dichloroethane → HCID 77623820, compound

HRID 1555900Notes

Reaction equation

HRID 1555900 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[OH:13])[CH2:14][c:15]1[c:16]([F:22])[cH:17][cH:18][c:19]([F:21])[cH:20]1.[CH2:62]([Cl:63])[CH2:64][Cl:65].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[ClH:23].[F:24][C:25]([c:26]1[n:27][c:28]2[c:33]([cH:34][c:35]1[C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:32][CH2:31][NH:30][CH2:29]2)([F:41])[F:42].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:13])[N:30]1[CH2:29][c:28]2[n:27][c:26]([C:25]([F:24])([F:41])[F:42])[c:35]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:34][c:33]2[CH2:32][CH2:31]1)[CH2:14][c:15]1[c:16]([F:22])[cH:17][cH:18][c:19]([F:21])[cH:20]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 219112013-tert-Butoxycarbonylamino-4-(2,5-difluoro-phenyl)-butyric acidHCID 53471985Ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate

Product 1

HCID 77623820HCID 77623820, compound

Sources & evidence

ORD record
ord-abbd1cae01a447dbae10af9fdac52b25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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