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Sodium Ion → ethyl 3-[1-(4-benzyloxybenzyl)-3-(4-benzyloxybenzyloxy)-1H-pyrazol-4-yl]propionate

HRID 1129989
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HRID 1129989 반응식
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][n:30]2[n:31][c:32]([O:37][CH2:38][c:39]3[cH:40][cH:41][c:42]([O:45][CH2:46][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[cH:43][cH:44]3)[c:33]([CH:35]=[O:36])[cH:34]2)[cH:53][cH:54]1.[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:8].[H-:15].[Na+:16].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:55]>>[CH2:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:35][c:33]1[c:32]([O:37][CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH2:46][c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[cH:43][cH:44]2)[n:31][n:30]([CH2:29][c:28]2[cH:27][cH:26][c:25]([O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:54][cH:53]2)[cH:34]1
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HCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 13345Triethyl phosphonoacetateHCID 166653HydrideHCID 230247931-(4-benzyloxybenzyl)-3-(4-benzyloxybenzyloxy)-1H-pyrazole-4-carbaldehyde

생성물 1

HCID 23024835
ethyl 3-[1-(4-benzyloxybenzyl)-3-(4-benzyloxybenzyloxy)-1H-pyrazol-4-yl]propionate

출처 및 근거

ORD 기록
ord-9ede38d4f18447c08b8c9ac425dba655
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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