HRID1537718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID853005

Di-tert-butyl N,N-dipropan-2-ylphosphoramidoite

C14H32NO2P

结构：COc1c(C)cnc(Cn2cc(C#CCCO)c3c(Cl)nc(N)nc32)c1C

HCID11950510

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)cnc(Cn2cc(C#CCCOP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(Cl)nc(N)nc32)c1C

HCID57713854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ac0b5a1130f49cfb6a6df60f997d8e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:43])[P:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:44])[CH3:45].[NH2:1][c:2]1[n:3][c:4]([Cl:27])[c:5]2[c:6]([n:7]1)[n:8]([CH2:16][c:17]1[n:18][cH:19][c:20]([CH3:26])[c:21]([O:24][CH3:25])[c:22]1[CH3:23])[cH:9][c:10]2[C:11]#[C:12][CH2:13][CH2:14][OH:15].[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[OH:46][OH:47]>>[NH2:1][c:2]1[n:3][c:4]([Cl:27])[c:5]2[c:6]([n:7]1)[n:8]([CH2:16][c:17]1[n:18][cH:19][c:20]([CH3:26])[c:21]([O:24][CH3:25])[c:22]1[CH3:23])[cH:9][c:10]2[C:11]#[C:12][CH2:13][CH2:14][O:15][P:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:48]