HRID2126601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10665

1H-Isoindole-1,3(2H)-dione, 2-hydroxy-

C8H5NO3

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID18322176

Phenylmethyl 3-chloro-5-(3-hydroxypropoxy)benzoate

C17H17ClO4

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)c1cc(Cl)cc(OCCCON2C(=O)c3ccccc3C2=O)c1

HCID18322169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33cfae51079a42518a53f79d0729fc57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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