HRID2311508

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：COC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1

HCID67224613

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1

HCID67224799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21ce8f8a2987412fbbff21263422064a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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