HRID189716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID9877845

(4-amino-benzyl)-methyl-(tetrahydro-pyran -4-yl)-amine

C13H20N2O

结构：CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3Cc2csc(C)n2)cc1

HCID22329193

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3Cc2csc(C)n2)cc1

HCID69749832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9078e3b2b95449679cbcfa4407d7ca6a
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

[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:40]2)[CH:25]=[C:26]([C:37](=[O:38])[OH:39])[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[n:32][c:33]([CH3:36])[s:34][cH:35]2)[cH:18][cH:19]1.[CH3:45][N:46]([CH:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1)[CH2:53][c:54]1[cH:55][cH:56][c:57]([NH2:58])[cH:59][cH:60]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH:61]([Cl:62])([Cl:63])[Cl:64].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:65].[S:41]([Cl:42])([Cl:43])=[O:44]>>[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:40]2)[CH:25]=[C:26]([C:37](=[O:38])[NH:58][c:57]2[cH:56][cH:55][c:54]([CH2:53][N:46]([CH3:45])[CH:47]4[CH2:48][CH2:49][O:50][CH2:51][CH2:52]4)[cH:60][cH:59]2)[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[n:32][c:33]([CH3:36])[s:34][cH:35]2)[cH:18][cH:19]1