HRID1124842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)c1ccc(SCCCCCOc2ccc(C3=C(c4ccccc4)CCCc4cc(OC5CCCCO5)ccc43)cc2)cc1

HCID69589664

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(SCCCCCOc2ccc(C3=C(c4ccccc4)CCCc4cc(O)ccc43)cc2)cc1

HCID21868832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b79ffa53837347dab95cb1e947af111b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24]3=[C:25]([c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[CH2:26][CH2:27][CH2:28][c:29]4[c:30]3[cH:31][cH:32][c:33]([O:35][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40][O:41]3)[cH:34]4)[cH:22][cH:23]2)[cH:9][cH:10]1.[CH3:60][OH:61].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:53].[OH:54][C:55]([C:56](=[O:57])[OH:58])=[O:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24]3=[C:25]([c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[CH2:26][CH2:27][CH2:28][c:29]4[c:30]3[cH:31][cH:32][c:33]([OH:35])[cH:34]4)[cH:22][cH:23]2)[cH:9][cH:10]1