HRID156120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2729681

未命名化合物

HCID21941562

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(NC(=O)C(CC2CCCC2)C(O)CCc2ccccc2)N=C(c2ccccc2)c2ccccc21

HCID21941563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64e7ed6efdd5453a8fe87dfaa537e4ff
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

[CH2:70]([Cl:71])[Cl:72].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH:11]([CH2:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[OH:20])[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:32][CH:33]1[C:34](=[O:51])[N:35]([CH3:50])[c:36]2[c:37]([cH:46][cH:47][cH:48][cH:49]2)[C:38]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)=[N:39]1.[OH2:52].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:32][CH:33]2[C:34](=[O:51])[N:35]([CH3:50])[c:36]3[c:37]([cH:46][cH:47][cH:48][cH:49]3)[C:38]([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)=[N:39]2)[CH:11]([CH2:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[OH:20])[CH2:2][CH2:3][CH2:4][CH2:5]1