HRID215531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID27642

(2-Methoxyethoxy)acetic acid

C5H10O4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：C1=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CCNC1

HCID58709796

未命名化合物

PRODUCTS

生成物

结构：COCCOCC(=O)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1

HCID11698375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0321843bdb8424bb45788b2f7cbde96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:48][O:49][CH2:50][CH2:51][O:52][CH2:53][C:54](=[O:55])[OH:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:1].[ClH:2].[ClH:3].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1.[s:4]1[cH:5][n:6][c:7]2[c:8]1[cH:9][c:10]([NH:13][c:14]1[c:15]3[c:16]([n:17][cH:18][n:19]1)[nH:20][c:21]([C:23]1=[CH:28][CH2:27][NH:26][CH2:25][CH2:24]1)[cH:22]3)[cH:11][cH:12]2>>[s:4]1[cH:5][n:6][c:7]2[c:8]1[cH:9][c:10]([NH:13][c:14]1[c:15]3[c:16]([n:17][cH:18][n:19]1)[nH:20][c:21]([C:23]1=[CH:28][CH2:27][N:26]([C:54]([CH2:53][O:52][CH2:51][CH2:50][O:49][CH3:48])=[O:55])[CH2:25][CH2:24]1)[cH:22]3)[cH:11][cH:12]2