HRID2130059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5237175

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate

C10H19NO3

结构：Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(O)c1

HCID136348818

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)c1

HCID86620007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d63a8a7a1dee4f7f97619dbde54dc4d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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