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Potassium Cation → trans-{4-[8-Amino-1-(3-methoxy-4-phenoxy-phenyl)-imidazo[1,5-a]pyrazin-3-yl]-cyclohexylmethyl}-carbamic acid benzyl ester

HRID 307182
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HRID 307182 반응식
[C:54](=[O:55])([O-:56])[O-:57].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH:15]([c:18]2[n:19][c:20]([I:28])[c:21]3[n:22]2[cH:23][cH:24][n:25][c:26]3[NH2:27])[CH2:16][CH2:17]1)=[O:29].[CH3:30][O:31][c:32]1[cH:33][c:34]([B:45]2[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]2)[cH:35][cH:36][c:37]1[O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:60][O:61][CH2:62][CH2:63][O:64][CH3:65].[K+:58].[K+:59].[OH2:66]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH:15]([c:18]2[n:19][c:20](-[c:34]3[cH:33][c:32]([O:31][CH3:30])[c:37]([O:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[cH:36][cH:35]3)[c:21]3[n:22]2[cH:23][cH:24][n:25][c:26]3[NH2:27])[CH2:16][CH2:17]1)=[O:29]
참가 물질출처 및 근거반응 노트

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7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 227362902-(3-Methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 59133065Benzyl{[trans-4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]methyl}carbamate

생성물 1

HCID 57960922trans-{4-[8-Amino-1-(3-methoxy-4-phenoxy-phenyl)-imidazo[1,5-a]pyrazin-3-yl]-cyclohexylmethyl}-carbamic acid benzyl ester

출처 및 근거

ORD 기록
ord-2f4a00a356c84bada02ca19b7897f429
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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