HRID99450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1001

Phenethylamine

C8H11N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CCCCc1nc2ccc(C(=O)O)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID15069195

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2ccc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID67572612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b630731a75e04f179c4479d7c6b744b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[cH:30][c:31]([C:34](=[O:35])[OH:36])[cH:32][cH:33]2.[CH2:44]([O:45][C:46]([Cl:47])=[O:48])[CH:49]([CH3:50])[CH3:51].[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[NH2:52][CH2:53][CH2:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[cH:30][c:31]([C:34](=[O:36])[NH:52][CH2:53][CH2:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[cH:32][cH:33]2