HRID1138037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID84271

2,4,6-Trimethoxyaniline

C9H13NO3

结构：CCCCCCCCCCCCc1cn(C(C(=O)O)c2ccccc2)cn1

HCID10642923

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCc1cn(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)cn1

HCID10697612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b70742e49e34665a855f7e075a6a352
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[c:34]1[n:35][cH:36][n:37]([CH:39]([C:40](=[O:41])[OH:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:38]1.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:9][O:10][c:11]1[c:12]([NH2:13])[c:14]([O:20][CH3:21])[cH:15][c:16]([O:18][CH3:19])[cH:17]1.[CH:49]1([N:50]=[C:51]=[N:52][CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:69][CH2:70][Cl:71].[ClH:8]>>[CH3:9][O:10][c:11]1[c:12]([NH:13][C:40]([CH:39]([n:37]2[cH:36][n:35][c:34]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[cH:38]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:41])[c:14]([O:20][CH3:21])[cH:15][c:16]([O:18][CH3:19])[cH:17]1