HRID1563256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID77969

Carbamic chloride, methylphenyl-

C8H8ClNO

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CNC2CC2)C(C)C)ccc1OC

HCID68616406

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CN(C(=O)N(C)c2ccccc2)C2CC2)C(C)C)ccc1OC

HCID68615827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1372603d2a5748c28b828b751d97d353
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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