HRID193288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：CN1CCC(Oc2cc(O)cc3ncnc(Nc4c(Cl)ccc5c4OCO5)c23)CC1

HCID135510701

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(OC2CCN(C)CC2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1

HCID68579264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1768ae0773e84d8caa8de6725a914fc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:67]([Cl:68])[Cl:69].[CH3:70][CH2:71][O:72][CH2:73][CH3:74].[CH3:75][CH2:76][OH:77].[Cl:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([c:23]1[NH:24][c:25]1[n:26][cH:27][n:28][c:29]3[cH:30][c:31]([OH:43])[cH:32][c:33]([O:35][CH:36]4[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]4)[c:34]13)[O:44][CH2:45][O:46]2.[ClH:66].[N:1]([C:2]([O:3][C:4]([CH3:5])([CH3:8])[CH3:9])=[O:10])=[N:11][C:12]([O:13][C:6]([CH3:7])([CH3:14])[CH3:15])=[O:16].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH2:6]([CH3:7])[O:43][c:31]1[cH:30][c:29]2[n:28][cH:27][n:26][c:25]([NH:24][c:23]3[c:18]([Cl:17])[cH:19][cH:20][c:21]4[c:22]3[O:44][CH2:45][O:46]4)[c:34]2[c:33]([O:35][CH:36]2[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]2)[cH:32]1