1,2-Dichloroethane → 3-(4-{3-[2-(4-Chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-ureido}-3-fluoro-phenyl)-propionic acid tert-butyl ester

HRID 1211766Notes

Reaction equation

HRID 1211766 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29]([CH2:30][CH2:31][c:32]1[cH:33][c:34]([F:41])[c:35]([N:38]=[C:39]=[O:40])[cH:36][cH:37]1)=[O:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]2[NH:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:6][cH:7]1.[Cl:50][CH2:51][CH2:52][Cl:53]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]2[N:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:39]([NH:38][c:35]2[c:34]([F:41])[cH:33][c:32]([CH2:31][CH2:30][C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:42])[cH:37][cH:36]2)=[O:40])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 8471TriethylamineHCID 66905444[2-(4-Chloro-phenyl)-2H-indazol-3-yl]cyclohexyl-amineHCID 866402673-(3-Fluoro-4-isocyanato-phenyl)-propionic acid tert-butyl ester

Product 1

HCID 669053413-(4-{3-[2-(4-Chloro-phenyl)-2H-indazol-3-yl]-3-cyclohexyl-ureido}-3-fluoro-phenyl)-propionic acid tert-butyl ester

Sources & evidence

ORD record
ord-170d1bf98dde40fdbc818f7052633939
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…