Dichloromethane → 3-amino-N-[2-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]-2-pyrazinecarboxamide

HRID 1229696Notes

Reaction equation

HRID 1229696 reaction equation
[CH2:11]([N:12]([CH2:13][CH2:14][CH2:15][CH3:16])[CH2:17][CH2:18][CH2:19][CH3:20])[CH2:21][CH2:22][CH3:23].[Cl:25][c:26]1[cH:27][cH:28][cH:29][cH:30][n+:31]1[CH3:32].[Cl:60][CH2:61][Cl:62].[I-:24].[NH2:1][c:2]1[c:3]([C:8](=[O:9])[OH:10])[n:4][cH:5][cH:6][n:7]1.[NH2:33][CH2:34][CH2:35][N:36]1[CH2:37][CH2:38][CH:39]([NH:42][c:43]2[n:44][c:45]3[c:46]([n:47]2[CH2:48][c:49]2[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]2)[cH:56][cH:57][cH:58][cH:59]3)[CH2:40][CH2:41]1>>[NH2:1][c:2]1[c:3]([C:8](=[O:10])[NH:33][CH2:34][CH2:35][N:36]2[CH2:37][CH2:38][CH:39]([NH:42][c:43]3[n:44][c:45]4[c:46]([n:47]3[CH2:48][c:49]3[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]3)[cH:56][cH:57][cH:58][cH:59]4)[CH2:40][CH2:41]2)[n:4][cH:5][cH:6][n:7]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 7622TributylamineHCID 30165Iodide IonHCID 726563-Amino-2-pyrazinecarboxylic acidHCID 1670702-Chloro-1-methylpyridiniumHCID 12891741N-[1-(2-aminoethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amine

Product 1

HCID 135881203-amino-N-[2-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]-2-pyrazinecarboxamide

Sources & evidence

ORD record
ord-8b0401c4dd264fb39fd016c442f342a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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