HRID101522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14057

Butanoic acid, 3,3-dimethyl-

C6H12O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID160435

Methanediimine

CH2N2

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCNCC3)cc2)cc1

HCID59420868

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cc2)cc1

HCID59420859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-490df0c9cbdc4c95a65e0e3aae75b907
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:33][C:34]([CH2:35][C:36](=[O:37])[OH:38])([CH3:39])[CH3:40].[Cl:55][CH2:56][Cl:57].[NH:52]=[C:53]=[NH:54].[OH2:41].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][N:30]([C:36]([CH2:35][C:34]([CH3:33])([CH3:39])[CH3:40])=[O:37])[CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1