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

HRID 98857Notes

Reaction equation

HRID 98857 reaction equation
[CH2:18]([CH3:19])[O:20][CH2:21][CH2:22][n:23]1[c:24]([NH:32][CH:33]2[CH2:34][CH2:35][N:36]([CH2:39][CH2:40][C:41]3([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[CH2:42][NH:43][CH2:44][CH2:45]3)[CH2:37][CH2:38]2)[n:25][c:26]2[c:27]1[cH:28][cH:29][cH:30][cH:31]2.[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:10][cH:11]1.[ClH:17]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[N:43]2[CH2:42][C:41]([CH2:40][CH2:39][N:36]3[CH2:35][CH2:34][CH:33]([NH:32][c:24]4[n:23]([CH2:22][CH2:21][O:20][CH2:18][CH3:19])[c:27]5[c:26]([n:25]4)[cH:31][cH:30][cH:29][cH:28]5)[CH2:38][CH2:37]3)([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[CH2:45][CH2:44]2)[cH:8][c:9]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 128487462-Methoxy-5-methylsulfonamidobenzoic AcidHCID 220091003-(2-(4-(1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Product 1

HCID 220091621-(2-methoxy-5-methylsulfonamidobenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-31e936d79a99493c8132fb7ed8d60b9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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