HRID87251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：O=C(O)Cn1cnc2c(NC(=O)OC(c3ccccc3)c3ccccc3)ncnc21

HCID15513044

(6-{[(Diphenylmethoxy)carbonyl]amino}-9H-purin-9-yl)acetic acid

C21H17N5O4

结构：O=C1CNCCN1S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]

HCID22222422

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C(=O)C1)OC(c1ccccc1)c1ccccc1

HCID22222407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a9c007fe6a643febac95a3de322f9d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:35][C:36](=[O:37])[NH:38][c:39]1[c:40]2[n:41][cH:42][n:43]([CH2:48][C:49](=[O:50])[OH:51])[c:44]2[n:45][cH:46][n:47]1.[ClH:21].[F:1][c:2]1[cH:3][c:4]([N+:18](=[O:19])[O-:20])[c:5]([S:8](=[O:9])(=[O:10])[N:11]2[C:12](=[O:17])[CH2:13][NH:14][CH2:15][CH2:16]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([N+:18](=[O:19])[O-:20])[c:5]([S:8](=[O:9])(=[O:10])[N:11]2[C:12](=[O:17])[CH2:13][N:14]([C:49]([CH2:48][n:43]3[cH:42][n:41][c:40]4[c:39]([NH:38][C:36]([O:35][CH:22]([c:23]5[cH:24][cH:25][cH:26][cH:27][cH:28]5)[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)=[O:37])[n:47][cH:46][n:45][c:44]43)=[O:50])[CH2:15][CH2:16]2)[cH:6][cH:7]1