HRID149633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2735700

N-Boc-1,3-propanediamine

C8H18N2O2

结构：O=C(NC1CC1)c1cccc2sc(-c3nc(Cl)ncc3Cl)cc12

HCID86625351

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCNc1ncc(Cl)c(-c2cc3c(C(=O)NC4CC4)cccc3s2)n1

HCID68905864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-220a94ef47a44f4a9b0650dfcc2e5a98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29]([NH:30][CH2:31][CH2:32][CH2:33][NH2:34])=[O:35].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([Cl:23])[n:19][cH:20][c:21]4[Cl:22])[cH:14][c:15]23)[CH2:2][CH2:3]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:45][CH2:46][Cl:47]>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([NH:34][CH2:33][CH2:32][CH2:31][NH:30][C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:35])[n:19][cH:20][c:21]4[Cl:22])[cH:14][c:15]23)[CH2:2][CH2:3]1