HRID670808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13831

Tributylphosphine

C12H27P

HCID31275

1,4-Dioxane

C4H8O2

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

结构：O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID2818126

未命名化合物

HCID10749525

未命名化合物

PRODUCTS

生成物

结构：Cn1c(COc2ccc(CC3SC(=O)N(C(c4ccccc4)(c4ccccc4)c4ccccc4)C3=O)cc2)nc2ncccc21

HCID23298341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-427fd28332994c7797d556811c9d2a3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:47]([P:48]([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH2:78]1[O:79][CH2:80][CH2:81][O:82][CH2:83]1.[N:60]([C:61]([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)=[O:68])=[N:69][C:70]([N:71]1[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1)=[O:77].[OH:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][CH:19]2[C:20](=[O:44])[N:21]([C:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[C:22](=[O:24])[S:23]2)[cH:45][cH:46]1.[OH:1][CH2:2][c:3]1[n:4]([CH3:12])[c:5]2[c:6]([n:7][cH:8][cH:9][cH:10]2)[n:11]1>>[O:1]([CH2:2][c:3]1[n:4]([CH3:12])[c:5]2[c:6]([n:7][cH:8][cH:9][cH:10]2)[n:11]1)[c:14]1[cH:15][cH:16][c:17]([CH2:18][CH:19]2[C:20](=[O:44])[N:21]([C:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[C:22](=[O:24])[S:23]2)[cH:45][cH:46]1