HRID1143998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(NC1CCCCC2CN(S(=O)(=O)c3ccccc3)CC(C(=O)O)N2C1=O)c1nccc2ccccc12

HCID21882356

未命名化合物

结构：Cc1cccc(C)c1C(=O)OCC(=O)C(N)CC(=O)OC(C)(C)C

HCID23571411

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1C(=O)OCC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C1CN(S(=O)(=O)c2ccccc2)CC2CCCCC(NC(=O)c3nccc4ccccc34)C(=O)N21

HCID69659652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7f90a88cafb4681ab81ef65e87ea5e9
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

[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[Cl:80][CH2:81][Cl:82].[NH2:49][CH:50]([C:51]([CH2:52][O:53][C:54]([c:55]1[c:56]([CH3:62])[cH:57][cH:58][cH:59][c:60]1[CH3:61])=[O:63])=[O:64])[CH2:65][C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1.[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([C:36](=[O:37])[OH:38])[N:13]3[CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH:19]([NH:22][C:23](=[O:24])[c:25]4[n:26][cH:27][cH:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]45)[C:20]3=[O:21])[CH2:35]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([C:36](=[O:37])[NH:49][CH:50]([C:51]([CH2:52][O:53][C:54]([c:55]3[c:56]([CH3:62])[cH:57][cH:58][cH:59][c:60]3[CH3:61])=[O:63])=[O:64])[CH2:65][C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[N:13]3[CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH:19]([NH:22][C:23](=[O:24])[c:25]4[n:26][cH:27][cH:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]45)[C:20]3=[O:21])[CH2:35]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1