HRID2135934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID10934

Thiazole, 2,4-dimethyl-

C5H7NS

结构：CCC(CC)c1cc(C)nn2c(-c3sc(Br)cc3C)c(C)nc12

HCID57932943

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4sc(C)nc4C)cc3C)c(C)nc12

HCID57932994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2cfb6d633d44826bd1f0b183adf567b
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

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