HRID300889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2756496

2-(Aminomethyl)-5-methylpyrazine

C6H9N3

结构：CC(C)c1nnnn1-c1cc(C(=O)O)cc(-c2ccc(Cl)cn2)c1

HCID57851500

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CNC(=O)c2cc(-c3ccc(Cl)cn3)cc(-n3nnnc3C(C)C)c2)cn1

HCID44599724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-360c6aee00374f84af2c1df15e186027
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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