HRID111294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID15381

1-Azabicyclo[2.2.2]octan-3-ol

C7H13NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2757838

4-Chloro-α-(phenylamino)benzeneacetic acid

C14H12ClNO2

PRODUCTS

生成物

结构：O=C(OC1CN2CCC1CC2)C(Nc1ccccc1)c1ccc(Cl)cc1

HCID72274146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c0c5476a1404ab493147096a5279163
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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