p-Toluenesulfonic acid → HCID 68682079, compound

HRID 165532

Reaction equation

HRID 165532 reaction equation
[CH3:20][O:21][C:22]([c:23]1[cH:24][c:25]([O:30][CH3:31])[c:26]([NH2:29])[cH:27][cH:28]1)=[O:32].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[c:2]1([NH:29][c:26]2[c:25]([O:30][CH3:31])[cH:24][c:23]([C:22]([O:21][CH3:20])=[O:32])[cH:28][cH:27]2)[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12]

Participants

4

Reactant 3

HCID 6101p-Toluenesulfonic acidHCID 602411Methyl 4-amino-3-methoxybenzoateHCID 579405262-Chloro-9-cyclopentyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 68682079HCID 68682079, compound

Sources & evidence

ORD record
ord-91729a7c0b574658bc96775bc1bf7f8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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