HRID288776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6343

Ethanethiol

C2H6S

结构：CCCc1c(OCCCOc2cc(OCc3ccccc3)c(-c3ccn[nH]3)cc2CC)cccc1Oc1ccccc1C(=O)O

HCID22666249

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCCCOc2cc(O)c(-c3ccn[nH]3)cc2CC)cccc1Oc1ccccc1C(=O)O

HCID135528988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da18110a14764708bdd6279a4c70daf0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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