Ammonium → 2,2-Dimethyl-propanoic Acid [3-Chloro-2-[[[2-[(triphenylmethyl)amino]-5-thiazolyl]carbonyl]amino]phenyl]methyl Ester

HRID 99996Notes

Reaction equation

HRID 99996 reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:45][C:46]([C:47](=[O:48])[Cl:49])([CH3:50])[CH3:51].[Cl-:52].[Cl:1][c:2]1[c:3]([NH:10][C:11](=[O:12])[c:13]2[cH:14][n:15][c:16]([NH:18][C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[s:17]2)[c:4]([CH2:8][OH:9])[cH:5][cH:6][cH:7]1.[NH4+:53].[OH2:59]>>[Cl:1][c:2]1[c:3]([NH:10][C:11](=[O:12])[c:13]2[cH:14][n:15][c:16]([NH:18][C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[s:17]2)[c:4]([CH2:8][O:9][C:47]([C:46]([CH3:45])([CH3:50])[CH3:51])=[O:48])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62493Pivaloyl chlorideHCID 25022845HCID 25022845, compound

Product 1

HCID 250228462,2-Dimethyl-propanoic Acid [3-Chloro-2-[[[2-[(triphenylmethyl)amino]-5-thiazolyl]carbonyl]amino]phenyl]methyl Ester

Sources & evidence

ORD record
ord-c0fdf0e91c004277a4258956fdc10e51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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