HRID1121633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID123064

3-Fluorophenyl isocyanate

C7H4FNO

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(N)c1

HCID67441465

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(NC(=O)Nc2cccc(F)c2)c1

HCID67441509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6938c1b9e7c431e8c13fb846c20449a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:23]([N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[CH3:29].[F:30][c:31]1[cH:32][c:33]([N:37]=[C:38]=[O:39])[cH:34][cH:35][cH:36]1.[NH2:1][c:2]1[cH:3][c:4]([CH:8]2[NH:9][c:10]3[cH:11][cH:12][c:13]([C:20](=[O:21])[OH:22])[cH:14][c:15]3[CH2:16][C:17]2([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1.[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[NH:1]([c:2]1[cH:3][c:4]([CH:8]2[NH:9][c:10]3[cH:11][cH:12][c:13]([C:20](=[O:21])[OH:22])[cH:14][c:15]3[CH2:16][C:17]2([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1)[C:38]([NH:37][c:33]1[cH:32][c:31]([F:30])[cH:36][cH:35][cH:34]1)=[O:39]