1,2-Dichloroethane → HCID 178500622, compound

HRID 96097

Reaction equation

HRID 96097 reaction equation
[CH2:63]([Cl:64])[CH2:65][Cl:66].[CH3:43][O:44][C:45](=[O:46])[CH:47]([CH2:48][CH2:49][S:50][CH3:51])[NH2:52].[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[Cl:76][CH2:77][Cl:78].[ClH:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][n:10]2[cH:11][n:12][cH:13][cH:14]2)[NH:15][c:16]2[cH:17][c:18](-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:6][cH:7]1.[NH2:32][CH:33]([C:34](=[O:35])[O:36][CH3:37])[CH2:38][CH2:39][S:40][CH3:41].[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][n:10]2[cH:11][n:12][cH:13][cH:14]2)[NH:15][c:16]2[cH:17][c:18](-[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[c:19]([C:20](=[O:22])[NH:32][CH:33]([C:34](=[O:35])[O:36][CH3:37])[CH2:38][CH2:39][S:40][CH3:41])[cH:23][cH:24]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 757711-HydroxybenzotriazoleHCID 351663Methionine methyl ester2×HCID 110802754-{1-(4-Fluorophenyl)-2-(imidazol-1-yl)ethylamino]-2-(4-fluorophenyl)benzoic acid

Product 1

HCID 178500622HCID 178500622, compound

Sources & evidence

ORD record
ord-9013b57dff304731aac612a7b6109ddb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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