HRID105563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID946

Nitrite ion

NO2-

HCID961

Hydroxide

HO-

HCID1038

Hydrogen ion

H+

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID30976

2,6-Diaminopurine

C5H6N6

结构：Nc1nc(N)c2ncn(C3OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)c2n1

HCID178508686

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(F)nc2c1ncn2C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178508564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0adfd998e6e4e8eb2d5a19d2db6138a
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

[F:57][B-:58]([F:59])([F:60])[F:61].[H+:62].[N:42]([O-:43])=[O:44].[NH2:1][c:2]1[n:3][c:4]([NH2:41])[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][CH2:14][c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[CH:21]([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH:30]([CH2:32][O:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[O:31]3)[c:9]2[n:10]1.[NH2:46][c:47]1[n:48][c:49]2[c:50]([nH:51][cH:52][n:53]2)[c:54]([NH2:55])[n:56]1.[Na+:45].[Na+:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH-:63]>>[c:2]1([F:57])[n:3][c:4]([NH2:41])[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][CH2:14][c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[CH:21]([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH:30]([CH2:32][O:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[O:31]3)[c:9]2[n:10]1