HRID1554669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID736341

4-(Chloromethyl)-2-methylthiazole

C5H6ClNS

结构：CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1

HCID10299557

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(CN2CCN(c3nc(NCCc4ccc(O)cc4)nc(N(C)CCCc4ccc(Cl)cc4)n3)CC2)cs1

HCID10282029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ec6acbefc6a41d5ab6e142df77d63b9
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

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