HRID158256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13364

Ethanamine, 2-chloro-N,N-diethyl-

C6H14ClN

HCID66918

3-Chloropropyl(diethyl)amine

C7H16ClN

结构：O=C(c1ccc(O)cc1)c1c(-c2ccccc2)oc2ccccc12

HCID13264991

(4-Hydroxyphenyl)(2-phenyl-1-benzofuran-3-yl)methanone

C21H14O3

结构：Cc1cc(C)cc(-c2oc3ccccc3c2C(=O)c2ccc(O)cc2)c1

HCID21435388

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCOc1ccc(C(=O)c2c(-c3cc(C)cc(C)c3)oc3ccccc23)cc1

HCID21435265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3929a3f8f4f94670bf7afebffea8846d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:27]([CH3:28])[N:29]([CH2:30][CH2:31][Cl:32])[CH2:33][CH3:34].[CH2:59]([N:60]([CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][Cl:66])[CH3:67].[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[o:10][c:11]3[c:12]([c:13]2[C:14]([c:15]2[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]2)=[O:22])[cH:23][cH:24][cH:25][cH:26]3)[cH:5][c:6]([CH3:8])[cH:7]1.[c:35]1(-[c:36]2[o:37][c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[c:44]2[C:45](=[O:46])[c:47]2[cH:48][cH:49][c:50]([OH:51])[cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[o:10][c:11]3[c:12]([c:13]2[C:14]([c:15]2[cH:16][cH:17][c:18]([O:21][CH2:31][CH2:30][N:29]([CH2:27][CH3:28])[CH2:33][CH3:34])[cH:19][cH:20]2)=[O:22])[cH:23][cH:24][cH:25][cH:26]3)[cH:5][c:6]([CH3:8])[cH:7]1