HRID2156837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID58355726

未命名化合物

结构：CC(C)CN(C(=O)C(=O)O)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID76731288

未命名化合物

PRODUCTS

生成物

结构：COCCCCNc1cccc(OC)c1NC(=O)C(=O)N(CC(C)C)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID70236162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b2c8d9ee21041a5814e2615e1f11cf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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