HRID1116093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10330133

未命名化合物

反应SMILES：CC(C)(C)OC(=O)NN(Cc1ccc(N2CCCC2)cc1)CC(O)C(N)Cc1ccccc1

HCID18426578

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(N2CCCC2)cc1)NC(=O)OC(C)(C)C)C(C)(C)C

HCID178502227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ae1628c678ac420db956ff48a3a0b029
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

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