HRID2125590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7812

4-Chloroaniline

C6H6ClN

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)O)n3)CC2C1

HCID178451515

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)Nc4ccc(Cl)cc4)n3)CC2C1

HCID67265560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52ac621667494507926dec7a172d9da7
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:22](=[O:23])[OH:24])[n:21]1)[CH2:15]2.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62].[Cl:63][CH2:64][Cl:65].[NH2:25][c:26]1[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]1.[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:22](=[O:24])[NH:25][c:26]3[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]3)[n:21]1)[CH2:15]2