HRID2152749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc4nc(NC(=O)c5cc6ccccc6cn5)[nH]c34)sc2C1

HCID178451658

2-({2-[(isoquinoline-3-carbonyl)-amino]-3H-benzoimidazole-4-carbonyl}-amino)-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester

C29H27N7O4S

PRODUCTS

生成物

结构：O=C(Nc1nc2cccc(C(=O)Nc3nc4c(s3)CNCC4)c2[nH]1)c1cc2ccccc2cn1

HCID178522488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92933696b2e64249a5d3a85b8bbd1668
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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