Water → 4-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-(2-methoxyethyl)benzamide

HRID 2332118Notes

Reaction equation

HRID 2332118 reaction equation
[B-:53]([F:54])([F:55])([F:56])[F:57].[CH3:35][O:36][CH2:37][CH2:38][NH:39][C:40](=[O:41])[c:42]1[cH:43][cH:44][c:45]([CH2:48][CH2:49][C:50](=[O:51])[OH:52])[cH:46][cH:47]1.[CH:75]([NH:76][CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[NH2:1][CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:34])[c:9]([CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[n:21]([CH2:27][c:28]4[n:29][cH:30][cH:31][cH:32][cH:33]4)[c:22]([O:25][CH3:26])[n:23][c:24]23)[c:10]([Cl:13])[cH:11][cH:12]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH2:87].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[NH:1]([CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:34])[c:9]([CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[n:21]([CH2:27][c:28]4[n:29][cH:30][cH:31][cH:32][cH:33]4)[c:22]([O:25][CH3:26])[n:23][c:24]23)[c:10]([Cl:13])[cH:11][cH:12]1)[C:50]([CH2:49][CH2:48][c:45]1[cH:44][cH:43][c:42]([C:40]([NH:39][CH2:38][CH2:37][O:36][CH3:35])=[O:41])[cH:47][cH:46]1)=[O:51]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 7912DiisopropylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 287601193-(4-((2-Methoxyethyl)carbamoyl)phenyl)propanoic acidHCID 667603852-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide

Product 1

HCID 667609784-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-(2-methoxyethyl)benzamide

Sources & evidence

ORD record
ord-65d12ffec63242ff86e969d37118b59f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…