Acetic Acid → 5-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide

HRID 1564231Notes

Reaction equation

HRID 1564231 reaction equation
[CH2:46]1[CH2:47][O:48][CH2:49][CH2:50][NH:51]1.[CH2:5]([CH3:6])[NH:7][C:8](=[O:9])[c:10]1[n:11][o:12][c:13](-[c:23]2[c:24]([O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:25][c:26]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:27]([Cl:29])[cH:28]2)[c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH:21]=[O:22])[cH:19][cH:20]1.[CH3:1][C:2](=[O:3])[OH:4].[CH3:52][OH:53]>>[CH2:5]([CH3:6])[NH:7][C:8](=[O:9])[c:10]1[n:11][o:12][c:13](-[c:23]2[c:24]([O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:25][c:26]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:27]([Cl:29])[cH:28]2)[c:14]1-[c:15]1[cH:16][cH:17][c:18]([CH2:21][N:51]2[CH2:46][CH2:47][O:48][CH2:49][CH2:50]2)[cH:19][cH:20]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 8083MorpholineHCID 247741115-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-(4-formyl-phenyl)-isoxazole-3-carboxylic acid ethylamide

Product 1

HCID 247741945-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide

Sources & evidence

ORD record
ord-f501dcb685274b6d9e289bafea765da1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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