Sodium ion → N-{2-[4-Amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)benzoyloxy]-ethyl}-N-{2-[2-[(2,6-dichlorophenyl)-amino]phenylacetoxy]-ethyl}-methylamine

HRID 143311

Reaction equation

HRID 143311 reaction equation
[Cl:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([CH2:16][C:17](=[O:18])[O-:19])[cH:12][cH:13][cH:14][cH:15]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[NH2:21][c:22]1[c:23]([Br:48])[cH:24][c:25]([C:26](=[O:27])[O:28][CH2:29][CH2:30][N:31]([CH2:32][CH2:33][Cl:34])[CH3:35])[cH:36][c:37]1[CH2:38][N:39]([CH2:40][CH3:41])[CH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[Na+:20]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([CH2:16][C:17]([O:18][CH2:33][CH2:32][N:31]([CH2:30][CH2:29][O:28][C:26]([c:25]3[cH:24][c:23]([Br:48])[c:22]([NH2:21])[c:37]([CH2:38][N:39]([CH2:40][CH3:41])[CH:42]4[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]4)[cH:36]3)=[O:27])[CH3:35])=[O:19])[cH:12][cH:13][cH:14][cH:15]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 923Sodium ionHCID 3032ArthrotecHCID 20516441N-{2-[4-amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)-benzoyloxy]-ethyl}-N-(2-chloroethyl)-methylamine

Product 1

HCID 54519623N-{2-[4-Amino-3-bromo-5-(N-ethyl-cyclohexylaminomethyl)benzoyloxy]-ethyl}-N-{2-[2-[(2,6-dichlorophenyl)-amino]phenylacetoxy]-ethyl}-methylamine

Sources & evidence

ORD record
ord-615f1657b5d7442bb34a519f498e39f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…