HRID204820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID11429

1,2-Butanediol

C4H10O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID96831

1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)

C21H19ClO2

PRODUCTS

生成物

结构：CCC(O)COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

HCID54116541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc92c1f61d14ba9955de6abf0c9377c
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

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