HRID1558934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C(C)(C)C1CCN(c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1

HCID58706735

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(C(C)(C)C(=O)O)CC4)s3)n2)c1

HCID44176683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-def14503e16e40e7acb36df68fe53037
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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