HRID1570481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76889

Benzenebutanol

C10H14O

HCID21455623

Ethyl [(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate

C7H10N2O2S2

结构：CC1CCC(N(CCCCc2ccccc2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1

HCID24987104

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(N(CCCCc2ccccc2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

HCID24987835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57fb09cbe95d476a9619d9e0bfcd69fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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