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1-Pyrrolidineethanamine → 4-{3-tert-Butyl-5-[({[4-(pyridin-4-yloxy)-phenyl]amino}carbonyl)amino]-1H-pyrazol-1-yl}-N-(2-pyrrolidin-1-ylethyl)benzamide

HRID 1538774
Notes
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Reaction equation

HRID 1538774 reaction equation
[CH3:13][O:14][C:15]([c:16]1[cH:17][cH:18][c:19](-[n:22]2[n:23][c:24]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:25][c:26]2[NH:27][C:28](=[O:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([O:37][c:38]3[cH:39][cH:40][n:41][cH:42][cH:43]3)[cH:35][cH:36]2)[cH:20][cH:21]1)=[O:48].[CH3:9][Al:10]([CH3:11])[CH3:12].[N:1]1([CH2:6][CH2:7][NH2:8])[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][CH2:7][NH:8][C:15](=[O:14])[c:16]2[cH:17][cH:18][c:19](-[n:22]3[n:23][c:24]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:25][c:26]3[NH:27][C:28](=[O:29])[NH:30][c:31]3[cH:32][cH:33][c:34]([O:37][c:38]4[cH:39][cH:40][n:41][cH:42][cH:43]4)[cH:35][cH:36]3)[cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
ParticipantsSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 13441-PyrrolidineethanamineHCID 16682925TrimethylaluminumHCID 536301834-(3-Tert-butyl-5-{3-[4-(pyridin-4-yloxy)phenyl]ureido}-pyrazol-1-yl)benzoic acid methyl ester

Product 1

HCID 117138764-{3-tert-Butyl-5-[({[4-(pyridin-4-yloxy)-phenyl]amino}carbonyl)amino]-1H-pyrazol-1-yl}-N-(2-pyrrolidin-1-ylethyl)benzamide

Sources & evidence

ORD record
ord-540a52fae3c44066880c96d00840e79d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes