HRID300135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

结构：O=C(O)C(=CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)c(C2CC2)c1

HCID68670838

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(NC(=O)C(=CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)c(C3CC3)c2)n1

HCID68671990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a53525e99374f7f94b2be0063aa9f13
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

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