HRID151113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID219302

Oxane-4-carboxylic acid

C6H10O3

HCID68747339

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)C2CCOCC2)CCN1c1nnc(-c2ccccc2)c2ccncc12

HCID68750210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31219f0698b4411e871e2080fe0b2bd3
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

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