Hydrochloric Acid → 1-[3-[3-[2-[4-[1-(2-Ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-methoxyphenoxy]propan-2-one

HRID 1563014Notes

Reaction equation

HRID 1563014 reaction equation
[CH2:3]([CH3:4])[O:5][CH2:6][CH2:7][n:8]1[c:9]([N:17]2[CH2:18][CH2:19][N:20]([CH2:24][CH2:25][C:26]3([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH2:27][NH:28][CH2:29][CH2:30]3)[CH2:21][CH2:22][CH2:23]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[CH3:37][O:38][c:39]1[c:40]([C:41](=[O:42])[OH:43])[cH:44][c:45]([O:48][CH2:49][C:50]([CH3:51])=[O:52])[cH:46][cH:47]1.[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[CH:75]([N:76]([CH:77]([CH3:78])[CH3:79])[CH2:80][CH3:81])([CH3:82])[CH3:83].[Cl:84][CH2:85][Cl:86].[ClH:1].[ClH:2].[OH2:64].[OH:65][n:66]1[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[CH2:3]([CH3:4])[O:5][CH2:6][CH2:7][n:8]1[c:9]([N:17]2[CH2:18][CH2:19][N:20]([CH2:24][CH2:25][C:26]3([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH2:27][N:28]([C:41]([c:40]4[c:39]([O:38][CH3:37])[cH:47][cH:46][c:45]([O:48][CH2:49][C:50]([CH3:51])=[O:52])[cH:44]4)=[O:42])[CH2:29][CH2:30]3)[CH2:21][CH2:22][CH2:23]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 184645202-Methoxy-5-(2-oxo-propoxy)-benzoic acidHCID 184646773-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

Product 1

HCID 184647391-[3-[3-[2-[4-[1-(2-Ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-methoxyphenoxy]propan-2-one

Sources & evidence

ORD record
ord-4f8a574e007043bea7b3fd0f7a440fe1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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