HRID90276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：OC1(c2ccc(Cl)c(C3OCCO3)c2)SC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178515083

未命名化合物

PRODUCTS

生成物

结构：O=Cc1cc(C2(O)SC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)ccc1Cl

HCID178519393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4da5164cee514cbfb48825a26c38d454
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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