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1-Butanol → 4-[3-(1-Hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

HRID 175250
Notes
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Reaction equation

HRID 175250 reaction equation
[CH2:54]([OH:55])[CH2:56][CH2:57][CH3:58].[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[Cl:39])[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1.[CH3:40][C:41](=[O:42])[Cl:43].[OH:44][CH:45]([CH3:46])[c:47]1[cH:48][c:49]([NH2:50])[cH:51][cH:52][cH:53]1>>[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[NH:50][c:49]2[cH:48][c:47]([CH:45]([OH:44])[CH3:46])[cH:53][cH:52][cH:51]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 2631-ButanolHCID 6367Acetyl chlorideHCID 2224611-(3-Aminophenyl)ethanolHCID 596739784-Chloro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

Product 1

HCID 11388192
4-[3-(1-Hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

Sources & evidence

ORD record
ord-1c811752b60c4bbe867bd78be7eef7e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes