HRID2136042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID64801

Benzenepropanoyl chloride

C9H9ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)C(O)C1O

HCID87689659

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccccc1)NC1CC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)C(O)C1O

HCID178520435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe90b7b157b64a05addb0e84e357d65c
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

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[ClH:1].[NH2:2][CH:3]1[CH:4]([OH:34])[CH:5]([OH:33])[CH:6]([n:8]2[c:9]3[n:10][c:11]([Cl:32])[n:12][c:13]([NH:17][CH2:18][CH:19]([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:14]3[n:15][cH:16]2)[CH2:7]1.[c:44]1([CH2:50][CH2:51][C:52](=[O:53])[Cl:54])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[NH:2]([CH:3]1[CH:4]([OH:34])[CH:5]([OH:33])[CH:6]([n:8]2[c:9]3[n:10][c:11]([Cl:32])[n:12][c:13]([NH:17][CH2:18][CH:19]([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[c:14]3[n:15][cH:16]2)[CH2:7]1)[C:52]([CH2:51][CH2:50][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:53]