Ammonium → (2R,3R,4R,5R)-2-[(Benzoyloxy)methyl]-5-[2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl]tetrahydrofuran-3,4-diyl Dibenzoate

HRID 682781

反応式

HRID 682781 の反応式
[C:27]([O:28][CH:31]1[CH:32]([O:33][C:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])[CH:42]([O:43][C:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)=[O:51])[CH:52]([CH2:54][O:55][C:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)=[O:63])[O:53]1)(=[O:29])[CH3:30].[Cl:1][c:2]1[n:3][c:4]([NH:11][CH2:12][c:13]2[cH:14][c:15]([I:19])[cH:16][cH:17][cH:18]2)[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1.[Cl:64][CH:65]([Cl:66])[CH3:67].[NH4+:20].[NH4+:21].[O-:22][S:23](=[O:24])(=[O:25])[O-:26]>>[Cl:1][c:2]1[n:3][c:4]([NH:11][CH2:12][c:13]2[cH:14][c:15]([I:19])[cH:16][cH:17][cH:18]2)[c:5]2[n:6][cH:7][n:8]([CH:31]3[CH:32]([O:33][C:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)=[O:41])[CH:42]([O:43][C:44]([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)=[O:51])[CH:52]([CH2:54][O:55][C:56]([c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)=[O:63])[O:53]3)[c:9]2[n:10]1

参加物

6

反応物 5

HCID 223Ammonium2 回HCID 1117Sulfate IonHCID 63651,1-DichloroethaneHCID 229578(5-Acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl)methyl benzoateHCID 103179492-chloro-N-(3-iodobenzyl)-7H-purin-6-amine

生成物 1

HCID 162625082(2R,3R,4R,5R)-2-[(Benzoyloxy)methyl]-5-[2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl]tetrahydrofuran-3,4-diyl Dibenzoate

出典と根拠

ORDレコード
ord-1f36be1010574c47a2664b8dcec58770
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

関連ノート

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