Hydrochloric Acid → 1-(2-methoxy-5-cyanobenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

HRID 1563898Notes

Reaction equation

HRID 1563898 reaction equation
[CH2:15]([CH3:16])[O:17][CH2:18][CH2:19][n:20]1[c:21]([NH:29][CH:30]2[CH2:31][CH2:32][N:33]([CH2:36][CH2:37][C:38]3([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[CH2:39][NH:40][CH2:41][CH2:42]3)[CH2:34][CH2:35]2)[n:22][c:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2.[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]1.[ClH:14]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[N:40]2[CH2:39][C:38]([CH2:37][CH2:36][N:33]3[CH2:32][CH2:31][CH:30]([NH:29][c:21]4[n:20]([CH2:19][CH2:18][O:17][CH2:15][CH3:16])[c:24]5[c:23]([n:22]4)[cH:28][cH:27][cH:26][cH:25]5)[CH2:35][CH2:34]3)([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH2:42][CH2:41]2)[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 219425685-Cyano-2-methoxybenzoic acidHCID 220091003-(2-(4-(1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Product 1

HCID 541317421-(2-methoxy-5-cyanobenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-85a5a693653f43abb420bf6b20acdbe0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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