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Potassium Cation → [2-(4-{4-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenylcarbamoyl]-benzyl}-piperazin-1-yl)-ethyl]-phosphonic acid diethyl ester

HRID 116995
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HRID 116995 반응식
[Br:37][CH2:38][CH2:39][P:40]([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47].[CH3:1][c:2]1[c:3]([NH:24][c:25]2[n:26][cH:27][cH:28][c:29](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[n:30]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:6][cH:7]1.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][c:2]1[c:3]([NH:24][c:25]2[n:26][cH:27][cH:28][c:29](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[n:30]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][N:20]([CH2:38][CH2:39][P:40]([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47])[CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:23])[cH:6][cH:7]1
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반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 79218Diethyl (2-bromoethyl)phosphonateHCID 9869737Cgp-74588

생성물 1

HCID 59772964[2-(4-{4-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenylcarbamoyl]-benzyl}-piperazin-1-yl)-ethyl]-phosphonic acid diethyl ester

출처 및 근거

ORD 기록
ord-767aed9552834d5aafbf45c53ddfd1ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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