HRID1552691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCNCC2)cc1

HCID59420883

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCN(C(=O)c3ccccc3)CC2)cc1

HCID59420880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d144610f0bca474ca52ed900dff752cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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