HRID2322015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1672

3-Methoxypropylamine

C4H11NO

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)CN(C(=O)c1cnc2ccsc2c1Cl)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178449381

未命名化合物

PRODUCTS

生成物

结构：COCCCNc1c(C(=O)N(CC(C)C)C2CC(C(=O)N3CCOCC3)CN(C(=O)OC(C)(C)C)C2)cnc2ccsc12

HCID178495263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e624677fd554e9b8e0f6bc170b08056
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:39][O:40][CH2:41][CH2:42][CH2:43][NH2:44].[CH3:55][CH:56]([OH:57])[CH3:58].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8](=[O:9])[N:10]([CH:11]1[CH2:12][N:13]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:14][CH:15]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[CH2:16]1)[CH2:32][CH:33]([CH3:34])[CH3:35])[cH:36][cH:37][s:38]2.[OH2:54]>>[c:2]1([NH:44][CH2:43][CH2:42][CH2:41][O:40][CH3:39])[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8](=[O:9])[N:10]([CH:11]1[CH2:12][N:13]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:14][CH:15]([C:17](=[O:18])[N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[CH2:16]1)[CH2:32][CH:33]([CH3:34])[CH3:35])[cH:36][cH:37][s:38]2