Hydrochloric Acid → N-(4-Cyano-benzyloxy)-2-({2-[3-(2-hydroxy-ethyl)-ureido]-pyridin-4-ylmethyl}-amino)-benzamide

HRID 2143781Notes

Reaction equation

HRID 2143781 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]2[c:13]([NH:18][CH2:19][c:20]3[cH:21][c:22]([NH:26][C:27]([NH:28][CH2:29][CH2:30][O:31][C:32](=[O:33])[C:34]([CH3:35])=[CH2:36])=[O:37])[n:23][cH:24][cH:25]3)[cH:14][cH:15][cH:16][cH:17]2)[cH:38][cH:39]1.[CH3:44][OH:45].[ClH:42].[Na+:41].[OH-:40].[OH2:43]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]2[c:13]([NH:18][CH2:19][c:20]3[cH:21][c:22]([NH:26][C:27]([NH:28][CH2:29][CH2:30][OH:31])=[O:37])[n:23][cH:24][cH:25]3)[cH:14][cH:15][cH:16][cH:17]2)[cH:38][cH:39]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 445543602-Methyl-acrylic acid 2-[3-(4-{[2-(4-cyano-benzyloxycarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-ureido]-ethyl ester

Product 1

HCID 44554190N-(4-Cyano-benzyloxy)-2-({2-[3-(2-hydroxy-ethyl)-ureido]-pyridin-4-ylmethyl}-amino)-benzamide

Sources & evidence

ORD record
ord-8b580e1747b542f6be401c07c44c6a0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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