Water → Carbamic acid, N-(2-((((1-methyl-5-((triphenylmethyl)amino)-1H-pyrazol-4-yl)amino)carbonyl)amino)ethyl)-, 1,1-dimethylethyl ester

HRID 102183Notes

Reaction equation

HRID 102183 reaction equation
[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[O:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[NH2:44][CH2:45][CH2:46][NH:47][C:48]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54].[OH2:55]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[NH:44][CH2:45][CH2:46][NH:47][C:48]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 187201N-BOC-ethylenediamineHCID 21904567Phenyl [1-methyl-5-(tritylamino)pyrazol-4-yl]carbamate

Product 1

HCID 21904455Carbamic acid, N-(2-((((1-methyl-5-((triphenylmethyl)amino)-1H-pyrazol-4-yl)amino)carbonyl)amino)ethyl)-, 1,1-dimethylethyl ester

Sources & evidence

ORD record
ord-07539620b1d24d2abed6d0abe6881290
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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