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Water → tert-butyl 4-({[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino)carbonyl)-1-piperazinecarboxylate

HRID 156151
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HRID 156151 반응식
[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([O:29][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:30])[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].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[N:44]1([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[OH2:57]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28](=[O:29])[N:47]2[CH2:46][CH2:45][N:44]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:49][CH2:48]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
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반응물 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 21904567Phenyl [1-methyl-5-(tritylamino)pyrazol-4-yl]carbamate

생성물 1

HCID 21904511tert-butyl 4-({[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino)carbonyl)-1-piperazinecarboxylate

출처 및 근거

ORD 기록
ord-1eb68f1f3cb54ddead70ca81d83c16f8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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