HRID297113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C1CCN(c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=CP(=O)(OCC)OCC)cc3OC)c(C)s2)CC1

HCID91225047

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(C=Cc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(N3CCC(C(=O)O)CC3)sc2C)c(OC)c1)OCC

HCID90708586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5367dee21f904cd7aa2b57d72d91c2f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:49][CH3:50])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32]([N:36]4[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:40][CH2:41]4)[s:33][c:34]3[CH3:35])[cH:47][cH:48]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1.[CH3:60][CH2:61][OH:62].[ClH:58].[Na+:57].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:56].[OH2:59]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:49][CH3:50])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32]([N:36]4[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[OH:44])[CH2:40][CH2:41]4)[s:33][c:34]3[CH3:35])[cH:47][cH:48]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1