HRID86780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6363

Isopropylamine

C3H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

结构：O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NC1CCOc2cc(CO)ccc21

HCID68932544

未命名化合物

PRODUCTS

生成物

结构：CC(C)NCc1ccc2c(c1)OCCC2NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1

HCID68928313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46c8700b02e84ebebac3104c0f9367bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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