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Dichloromethane → 4-[2-(3-tert-Butyl-ureido)-2-phenyl-acetyl]-morpholine-3-carboxylic acid {4-[3-(5-chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenyl}-amide

HRID 2330547
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HRID 2330547 반응식
[C:42]([CH3:43])([CH3:44])([CH3:45])[N:46]=[C:47]=[O:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:41])[c:6](-[c:8]2[n:9][n:10]([CH3:40])[cH:11][c:12]2[C:13]#[C:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[CH:24]3[CH2:25][O:26][CH2:27][CH2:28][N:29]3[C:30]([CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[NH2:38])=[O:39])[cH:19][cH:20]2)[cH:7]1.[Cl:49][CH2:50][Cl:51]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:41])[c:6](-[c:8]2[n:9][n:10]([CH3:40])[cH:11][c:12]2[C:13]#[C:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[CH:24]3[CH2:25][O:26][CH2:27][CH2:28][N:29]3[C:30]([CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[NH:38][C:47]([NH:46][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:48])=[O:39])[cH:19][cH:20]2)[cH:7]1
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반응물 3

HCID 6344DichloromethaneHCID 62412tert-Butyl isocyanateHCID 1363466894-(2-Amino-2-phenyl-acetyl)-morpholine-3-carboxylic acid {4-[3-(5-chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenyl}-amide

생성물 1

HCID 1363466914-[2-(3-tert-Butyl-ureido)-2-phenyl-acetyl]-morpholine-3-carboxylic acid {4-[3-(5-chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenyl}-amide

출처 및 근거

ORD 기록
ord-30576fc2864e4d7dbf24c22c7f03749d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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