HRID1235598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11671

2-Hydroxyisobutyric acid

C4H8O3

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(OC)CNC3)n(C)c2n1

HCID59605834

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(OC)CN(C(=O)C(C)(C)O)C3)n(C)c2n1

HCID59605356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c780faae2c349079fe2d1eb48978b16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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