HRID1556482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCNCC2)nc1OCCCO

HCID70022301

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCN(C=O)CC2)nc1OCCCO

HCID86753878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2d621b0a9994cf9a96e1712d583aa56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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