HRID169885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID23404

3-Thiopheneacetic acid

C6H6O2S

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID160435

Methanediimine

CH2N2

结构：Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1

HCID57737167

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccsc1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1

HCID68682568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0d2f33c3f74441592f8176e692098ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][cH:15]3)[c:16]2-[c:17]2[n:18][c:19]([NH:23][c:24]3[cH:25][c:26](-[c:30]4[cH:31][n:32][cH:33][o:34]4)[cH:27][cH:28][cH:29]3)[n:20][cH:21][cH:22]2)[cH:5][cH:6][cH:7]1.[NH:45]=[C:46]=[NH:47].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1.[s:48]1[cH:49][c:50]([CH2:53][C:54](=[O:55])[OH:56])[cH:51][cH:52]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][cH:15]3)[c:16]2-[c:17]2[n:18][c:19]([NH:23][c:24]3[cH:25][c:26](-[c:30]4[cH:31][n:32][cH:33][o:34]4)[cH:27][cH:28][cH:29]3)[n:20][cH:21][cH:22]2)[cH:5][cH:6][cH:7]1)[C:54]([CH2:53][c:50]1[cH:49][s:48][cH:52][cH:51]1)=[O:55]