HRID168737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1596920

diethyl aminomethylphosphonate

C5H14NO3P

HCID42637713

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CNC(=O)c1nc2c(N)ncnc2n1CCc1ccccc1)OCC

HCID42637081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef07d863a09a4966b2532730b8af9bfc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[c:10]2[n:11][cH:12][n:13][c:14]([NH2:22])[c:15]2[n:16][c:17]1[C:18]([O:20][CH3:19])=[O:21].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][OH:51].[NH2:25][CH2:26][P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:34].[Na+:24].[OH-:23].[OH2:52].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[c:10]2[n:11][cH:12][n:13][c:14]([NH2:22])[c:15]2[n:16][c:17]1[C:18](=[O:20])[NH:25][CH2:26][P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:34]