HRID149522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7693

4-Chlorophenyl isocyanate

C7H4ClNO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID21988569

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2Cc3c(CNC(=O)Nc4ccc(Cl)cc4)cccc3C2=O)C(=O)N1

HCID16117480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7c1286fde09439b9cb4de423ac4b443
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

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[O:10])[cH:6][cH:7]1.[ClH:11].[NH2:12][CH2:13][c:14]1[c:15]2[c:19]([cH:20][cH:21][cH:22]1)[C:18](=[O:23])[N:17]([CH:24]1[C:25](=[O:31])[NH:26][C:27](=[O:30])[CH2:28][CH2:29]1)[CH2:16]2>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:12][CH2:13][c:14]2[c:15]3[c:19]([cH:20][cH:21][cH:22]2)[C:18](=[O:23])[N:17]([CH:24]2[C:25](=[O:31])[NH:26][C:27](=[O:30])[CH2:28][CH2:29]2)[CH2:16]3)[cH:6][cH:7]1