HRID88419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID276

Carbamic acid, ion(1-)

CH2NO2-

HCID7998

Propyl chloroformate

C4H7ClO2

结构：COC(=O)c1sc(-c2cccc(NC3CCCCC3)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID57640828

未命名化合物

PRODUCTS

生成物

结构：CCCOC(=O)N(c1cccc(-c2sc(C(=O)OC)c(OCC(=O)OC(C)(C)C)c2Br)c1)C1CCCCC1

HCID68835409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0693d9010ed4f579cb8d39899e8d636
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

[CH3:12][O:13][C:14](=[O:15])[c:16]1[s:17][c:18](-[c:31]2[cH:32][c:33]([NH:37][CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[cH:34][cH:35][cH:36]2)[c:19]([Br:30])[c:20]1[O:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29].[Cl:5][C:6](=[O:7])[O:8][CH2:9][CH2:10][CH3:11].[NH2:1][C:2](=[O:3])[O-:4]>>[C:6](=[O:7])([O:8][CH2:9][CH2:10][CH3:11])[N:37]([c:33]1[cH:32][c:31](-[c:18]2[s:17][c:16]([C:14]([O:13][CH3:12])=[O:15])[c:20]([O:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:19]2[Br:30])[cH:36][cH:35][cH:34]1)[CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1