HRID2138358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID7693

4-Chlorophenyl isocyanate

C7H4ClNO

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)C1CCC(c2ccccc2)N1C(=O)CN

HCID18928063

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCC(c2ccccc2)N1C(=O)CNC(=O)Nc1ccc(Cl)cc1

HCID131719911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b7a6b8610c24092b70de9cb7c30f0df
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

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