HRID293726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID3758046

1-amino-3-phenyl-propan-2-ol

C9H13NO

结构：Cn1c(Cl)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O

HCID22185193

未命名化合物

PRODUCTS

生成物

结构：Cn1c(NCC(O)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O

HCID11662634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91c8c2717a514888b836b0dcab113af4
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

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