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Acetonitrile → [3-(3,4-Dichlorophenyl)-3-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

HRID 1543877
Notes
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Reaction equation

HRID 1543877 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32].[CH3:35][n:36]1[c:37]([NH:45][CH:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[n:38][c:39]2[c:40]1[cH:41][cH:42][cH:43][cH:44]2.[CH3:61][C:62]#[N:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:49]3[CH2:48][CH2:47][CH:46]([NH:45][c:37]4[n:36]([CH3:35])[c:40]5[c:39]([n:38]4)[cH:44][cH:43][cH:42][cH:41]5)[CH2:51][CH2:50]3)([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 158408993-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidineethanol methansulfonateHCID 22009124(1-methyl-1H-benzimidazol-2-yl)(piperidin-4-yl)amine

Product 1

HCID 9939601
[3-(3,4-Dichlorophenyl)-3-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Sources & evidence

ORD record
ord-13ec501658dc4e3b987937b1a20ef3d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes