HRID207497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79698

3,3-Diphenylpropylamine

C15H17N

结构：O=C(O)C1=C(COCCC2CCCCC2)NC(c2ccccc2)=NC1c1cccc(Cl)c1

HCID15546104

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCC(c1ccccc1)c1ccccc1)C1=C(COCCC2CCCCC2)NC(c2ccccc2)=NC1c1cccc(Cl)c1

HCID9939371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9aaadfbd33bf4b4489e191032c988e46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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