HCID 68579940, 화합물 → 6-(4-{[(3,4-Dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 68579940HCID 68579940, 화합물

HCID 68579942Methyl 6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxylate

생성물 1

HCID 685826546-(4-{[(3,4-Dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

출처 및 근거

ORD 기록: ord-65fb9a46cd9a42ea98a397e9f9e8d5c6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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