HRID1562526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：O=C(Cc1cccs1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CC(NC(=O)C(F)(F)F)CC4)n2)c1

HCID57737193

未命名化合物

PRODUCTS

生成物

结构：NC1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6cccs6)c5)nn5ccccc45)n3)cc2C1

HCID57737171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d975a72fc7e84aa2ae4ee56aa3820774
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

[CH3:51][OH:52].[F:1][C:2]([F:3])([F:4])[C:47]([NH:5][CH:6]1[CH2:7][c:8]2[cH:9][c:10]([NH:16][c:17]3[n:18][cH:19][cH:20][c:21](-[c:23]4[c:24](-[c:32]5[cH:33][c:34]([NH:38][C:39]([CH2:40][c:41]6[s:42][cH:43][cH:44][cH:45]6)=[O:46])[cH:35][cH:36][cH:37]5)[n:25][n:26]5[c:27]4[cH:28][cH:29][cH:30][cH:31]5)[n:22]3)[cH:11][cH:12][c:13]2[CH2:14][CH2:15]1)=[O:48].[Li+:50].[OH-:49]>>[NH2:5][CH:6]1[CH2:7][c:8]2[cH:9][c:10]([NH:16][c:17]3[n:18][cH:19][cH:20][c:21](-[c:23]4[c:24](-[c:32]5[cH:33][c:34]([NH:38][C:39]([CH2:40][c:41]6[s:42][cH:43][cH:44][cH:45]6)=[O:46])[cH:35][cH:36][cH:37]5)[n:25][n:26]5[c:27]4[cH:28][cH:29][cH:30][cH:31]5)[n:22]3)[cH:11][cH:12][c:13]2[CH2:14][CH2:15]1