HRID1152526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

结构：CC(C)C(N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID22238798

未命名化合物

结构：CC(C)(C)OC(=O)NC(C=O)CCCNC(=O)OCc1ccccc1

HCID178453753

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NCC(CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID178449060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eb4c3ffb0664149b3dea1648ebb7ef0
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

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([NH:31][CH:32]([CH2:33][CH2:34][CH2:35][NH:36][C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[O:48])=[O:49].[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[Cl:64][CH2:65][Cl:66].[NH2:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[Na+:63]>>[NH:1]([CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:47][CH:32]([NH:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:49])[CH2:33][CH2:34][CH2:35][NH:36][C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1