HRID2156401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID2776158

2,3-dihydro-1-benzofuran-5-ylmethanol

C9H10O2

反应SMILES：CCOC(=O)C=Cc1ccc(N(C(=O)OC(C)(C)C)C2CCNC2)nc1

HCID178470978

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C=Cc1ccc(N(C(=O)OC(C)(C)C)C2CCN(Cc3ccc4c(c3)CCO4)C2)nc1

HCID178470983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5981b9b2e0dd4f2ea866b6a8dd860a40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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