HRID102273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCCN(Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1nc(-c2ccccc2)c(CCC(=O)OC)s1

HCID69430779

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCN(Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1nc(-c2ccccc2)c(CCC(=O)O)s1

HCID69425837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff4bc4b6bf004a259c7ea37e52dd216e
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

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