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Sodium Ion → 4-(2-Amino-5-benzyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile

HRID 672917
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HRID 672917 반응식
[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[n:21]1[cH:22][cH:23][c:24]2[n:25][c:26]([NH2:31])[n:27][c:28]([Cl:30])[c:29]12.[CH3:32][N:33]1[CH2:34][CH2:35][CH2:36][C:37]1=[O:38].[H-:2].[Na+:1].[OH2:39].[OH:3][c:4]1[c:5]([CH3:13])[cH:6][c:7]([C:8]#[N:9])[cH:10][c:11]1[CH3:12]>>[O:3]([c:4]1[c:5]([CH3:13])[cH:6][c:7]([C:8]#[N:9])[cH:10][c:11]1[CH3:12])[c:28]1[n:27][c:26]([NH2:31])[n:25][c:24]2[cH:23][cH:22][n:21]([CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:29]21
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HCID 923Sodium IonHCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 201763,5-Dimethyl-4-hydroxybenzonitrileHCID 166653HydrideHCID 576936175-benzyl-4-chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

생성물 1

HCID 576936694-(2-Amino-5-benzyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile

출처 및 근거

ORD 기록
ord-548cbf3146a14ebda39deeea6bed99f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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