HRID1218843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6645

Methyl toluene-4-sulfonate

C8H10O3S

HCID5360545

Sodium

结构：CC1(CCCNC(=O)c2[nH]c(-c3ccccc3)c3cc(Cl)ccc23)OCCO1

HCID54366410

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(=O)NCCCC2(C)OCCO2)c2ccc(Cl)cc2c1-c1ccccc1

HCID53817100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fb208888c9043748cfde1814edd7750
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][C:2]1([CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]2[nH:14][c:15](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:16]3[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]23)[O:3][CH2:4][CH2:5][O:6]1.[CH3:30][O:31][S:32]([c:33]1[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]1)(=[O:40])=[O:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][OH:48].[Na:29]>>[CH3:1][C:2]1([CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]2[n:14]([CH3:30])[c:15](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:16]3[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]23)[O:3][CH2:4][CH2:5][O:6]1